(3S)-3,4-dimethylmorpholine;(3R)-3,4-dimethylmorpholine;1,4-dimethylpiperidine;N,1-dimethylpiperidine-4-carboxamide;4-methylmorpholine

C32H68N6O4 — CID 162167557

IUPAC(3S)-3,4-dimethylmorpholine;(3R)-3,4-dimethylmorpholine;1,4-dimethylpiperidine;N,1-dimethylpiperidine-4-carboxamide;4-methylmorpholine
SMILESCC1CCN(C)CC1.CN1CCOCC1.CNC(=O)C1CCN(C)CC1.C[C@@H]1COCCN1C.C[C@H]1COCCN1C
InChIInChI=1S/C8H16N2O.C7H15N.2C6H13NO.C5H11NO/c1-9-8(11)7-3-5-10(2)6-4-7;1-7-3-5-8(2)6-4-7;2*1-6-5-8-4-3-7(6)2;1-6-2-4-7-5-3-6/h7H,3-6H2,1-2H3,(H,9,11);7H,3-6H2,1-2H3;2*6H,3-5H2,1-2H3;2-5H2,1H3/t;;2*6-;/m..10./s1
InChIKeyZNILSRQMJXJILZ-OVPLKVFESA-N
MW600.93 g/mol
LogP2.04
Rot. Bonds1

About (3S)-3,4-dimethylmorpholine;(3R)-3,4-dimethylmorpholine;1,4-dimethylpiperidine;N,1-dimethylpiperidine-4-carboxamide;4-methylmorpholine

(3S)-3,4-dimethylmorpholine;(3R)-3,4-dimethylmorpholine;1,4-dimethylpiperidine;N,1-dimethylpiperidine-4-carboxamide;4-methylmorpholine (PubChem CID 162167557) has the molecular formula C32H68N6O4 and a molecular weight of 600.93 g/mol. Its IUPAC name is (3S)-3,4-dimethylmorpholine;(3R)-3,4-dimethylmorpholine;1,4-dimethylpiperidine;N,1-dimethylpiperidine-4-carboxamide;4-methylmorpholine.

Molecular Properties

Compound Name(3S)-3,4-dimethylmorpholine;(3R)-3,4-dimethylmorpholine;1,4-dimethylpiperidine;N,1-dimethylpiperidine-4-carboxamide;4-methylmorpholine
PubChem CID162167557
Molecular FormulaC32H68N6O4
Molecular Weight600.93 g/mol
Exact Mass600.53
IUPAC Name(3S)-3,4-dimethylmorpholine;(3R)-3,4-dimethylmorpholine;1,4-dimethylpiperidine;N,1-dimethylpiperidine-4-carboxamide;4-methylmorpholine
SMILESCC1CCN(C)CC1.CN1CCOCC1.CNC(=O)C1CCN(C)CC1.C[C@@H]1COCCN1C.C[C@H]1COCCN1C
InChIInChI=1S/C8H16N2O.C7H15N.2C6H13NO.C5H11NO/c1-9-8(11)7-3-5-10(2)6-4-7;1-7-3-5-8(2)6-4-7;2*1-6-5-8-4-3-7(6)2;1-6-2-4-7-5-3-6/h7H,3-6H2,1-2H3,(H,9,11);7H,3-6H2,1-2H3;2*6H,3-5H2,1-2H3;2-5H2,1H3/t;;2*6-;/m..10./s1
InChIKeyZNILSRQMJXJILZ-OVPLKVFESA-N
XLogP2.04
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500600.93
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[2-(diethylamino)ethyl]-2-methylpropanamide;N-[2-(dimethylamino)ethyl]-2-methylpropanamide;N-[1-(dimethylamino)propan-2-yl]-2-methylpropanamide;1,2-dimethyl-4-(2-methylpropyl)piperazine;N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-methylpropanamide;N-[2-[ethyl(methyl)amino]ethyl]-2-methylpropanamide;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;1-methyl-4-(2-methylpropyl)piperazine;2-methyl-N-(2-piperidin-1-ylethyl)propanamide;2-methyl-6-piperidin-1-ylhexan-3-one;2-methyl-N-piperidin-3-ylpropanamide;1-[2-(2-methylpropoxy)ethyl]piperidine;1-(2-methylpropyl)-4-propylpiperazine;1,2,2-trimethyl-4-(2-methylpropyl)piperazine
CID 158796046
(2S,3R)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2R,3R)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2R,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide
CID 159105749
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-methylpiperidine-4-carboxamide;N-heptyl-1-methylpiperidine-4-carboxamide;N-hexyl-1-methylpiperidine-4-carboxamide;4-[(1-methylpiperidin-4-yl)methyl]morpholine;1-methyl-N-(2-propoxyethyl)piperidine-4-carboxamide
CID 159160877
2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one
CID 159299365
N-[2-(diethylamino)ethyl]-2-methylpropanamide;N-[2-(dimethylamino)ethyl]-2-methylpropanamide;N-[1-(dimethylamino)propan-2-yl]-2-methylpropanamide;1,2-dimethyl-4-(2-methylpropyl)piperazine;N-[2-[ethyl(methyl)amino]ethyl]-2-methylpropanamide;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;1-methyl-4-(2-methylpropyl)piperazine;2-methyl-N-(2-piperidin-1-ylethyl)propanamide;2-methyl-6-piperidin-1-ylhexan-3-one;2-methyl-N-piperidin-3-ylpropanamide;1-[2-(2-methylpropoxy)ethyl]piperidine;1-(2-methylpropyl)piperazine;4-[1-(2-methylpropyl)piperidin-4-yl]morpholine;1-(2-methylpropyl)-4-propylpiperazine;1,2,2-trimethyl-4-(2-methylpropyl)piperazine
CID 160180112
4-(3-Methylbutyl)morpholine;2-methyl-1-morpholin-4-ylpropan-1-one;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;4-propan-2-ylmorpholine;4-propan-2-yloxane;4-propan-2-ylpiperidine
CID 160287075
N-ethyl-3-methyl-N-propylbutanamide;N-ethyl-2-methyl-N-propylpropanamide;3-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]butan-1-one;2-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]propan-1-one;3-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one;2-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;1-(2-methylpropanoyl)-N-(2-methylpropyl)piperidine-4-carboxamide;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 160884561
1-ethyl-4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine;N-[2-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)ethyl]propan-2-amine;3-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-N-propan-2-ylpropan-1-amine;(4-methylpiperazin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-methylpiperazin-1-yl)-(1-propan-2-ylpiperidin-4-yl)methanone;1-methyl-4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperazine;1-methyl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine
CID 160996602
(3S)-3,4-dimethylmorpholine;(3R)-3,4-dimethylmorpholine;N,1-dimethylpiperidine-4-carboxamide;4-methylmorpholine;N,N,1-trimethylpiperidine-4-carboxamide
CID 161967339
N-(2-aminoethyl)-N,3-dimethylbutanamide;N-(2-aminoethyl)-3-methylbutanamide;N-(3-aminopropyl)-N,3-dimethylbutanamide;N-(3-aminopropyl)-3-methylbutanamide;N-[2-(dimethylamino)ethyl]-3-methylbutanamide;N,3-dimethylbutanamide;N,3-dimethyl-N-[2-(methylamino)ethyl]butanamide;N-ethyl-3-methylbutanamide;N-(2-methoxyethyl)-N,3-dimethylbutanamide;N-(2-methoxyethyl)-3-methylbutanamide;3-methylbutanamide;3-methyl-N-[2-(methylamino)ethyl]butanamide;3-methyl-N-[3-(methylamino)propyl]butanamide;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-N-piperidin-4-ylbutanamide;3-methyl-1-piperidin-1-ylbutan-1-one
CID 162195603
N-(3-morpholin-4-ylpropyl)-1-(1-pentanoylpiperidin-4-yl)piperidine-4-carboxamide
CID 42881460

Frequently Asked Questions

What is the IUPAC name of (3S)-3,4-dimethylmorpholine;(3R)-3,4-dimethylmorpholine;1,4-dimethylpiperidine;N,1-dimethylpiperidine-4-carboxamide;4-methylmorpholine?
The IUPAC name of (3S)-3,4-dimethylmorpholine;(3R)-3,4-dimethylmorpholine;1,4-dimethylpiperidine;N,1-dimethylpiperidine-4-carboxamide;4-methylmorpholine (CID 162167557) is (3S)-3,4-dimethylmorpholine;(3R)-3,4-dimethylmorpholine;1,4-dimethylpiperidine;N,1-dimethylpiperidine-4-carboxamide;4-methylmorpholine.
What is the SMILES notation for (3S)-3,4-dimethylmorpholine;(3R)-3,4-dimethylmorpholine;1,4-dimethylpiperidine;N,1-dimethylpiperidine-4-carboxamide;4-methylmorpholine?
The canonical SMILES for (3S)-3,4-dimethylmorpholine;(3R)-3,4-dimethylmorpholine;1,4-dimethylpiperidine;N,1-dimethylpiperidine-4-carboxamide;4-methylmorpholine is CC1CCN(C)CC1.CN1CCOCC1.CNC(=O)C1CCN(C)CC1.C[C@@H]1COCCN1C.C[C@H]1COCCN1C.
What is the InChIKey of (3S)-3,4-dimethylmorpholine;(3R)-3,4-dimethylmorpholine;1,4-dimethylpiperidine;N,1-dimethylpiperidine-4-carboxamide;4-methylmorpholine?
The InChIKey is ZNILSRQMJXJILZ-OVPLKVFESA-N. The full InChI is InChI=1S/C8H16N2O.C7H15N.2C6H13NO.C5H11NO/c1-9-8(11)7-3-5-10(2)6-4-7;1-7-3-5-8(2)6-4-7;2*1-6-5-8-4-3-7(6)2;1-6-2-4-7-5-3-6/h7H,3-6H2,1-2H3,(H,9,11);7H,3-6H2,1-2H3;2*6H,3-5H2,1-2H3;2-5H2,1H3/t;;2*6-;/m..10./s1.
What are the key properties of (3S)-3,4-dimethylmorpholine;(3R)-3,4-dimethylmorpholine;1,4-dimethylpiperidine;N,1-dimethylpiperidine-4-carboxamide;4-methylmorpholine?
(3S)-3,4-dimethylmorpholine;(3R)-3,4-dimethylmorpholine;1,4-dimethylpiperidine;N,1-dimethylpiperidine-4-carboxamide;4-methylmorpholine has a molecular weight of 600.93 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3,4-dimethylmorpholine;(3R)-3,4-dimethylmorpholine;1,4-dimethylpiperidine;N,1-dimethylpiperidine-4-carboxamide;4-methylmorpholine is sourced from PubChem (CID 162167557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).