2-amino-1-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]piperidin-1-yl]ethanone;ethane;N-ethyl-N-methylpropanamide;N-ethylpropan-1-amine

C30H63N7O4 — CID 145317202

IUPAC2-amino-1-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]piperidin-1-yl]ethanone;ethane;N-ethyl-N-methylpropanamide;N-ethylpropan-1-amine
SMILESCC.CCC(=O)N(C)CC.CCCNCC.NCC(=O)N1CCC(N2CCN(CC(=O)N3CCOCC3)CC2)CC1
InChIInChI=1S/C17H31N5O3.C6H13NO.C5H13N.C2H6/c18-13-16(23)21-3-1-15(2-4-21)20-7-5-19(6-8-20)14-17(24)22-9-11-25-12-10-22;1-4-6(8)7(3)5-2;1-3-5-6-4-2;1-2/h15H,1-14,18H2;4-5H2,1-3H3;6H,3-5H2,1-2H3;1-2H3
InChIKeyPVJQOTUNMQZMES-UHFFFAOYSA-N
MW585.88 g/mol
LogP1.32
Rot. Bonds9

About 2-amino-1-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]piperidin-1-yl]ethanone;ethane;N-ethyl-N-methylpropanamide;N-ethylpropan-1-amine

2-amino-1-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]piperidin-1-yl]ethanone;ethane;N-ethyl-N-methylpropanamide;N-ethylpropan-1-amine (PubChem CID 145317202) has the molecular formula C30H63N7O4 and a molecular weight of 585.88 g/mol. Its IUPAC name is 2-amino-1-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]piperidin-1-yl]ethanone;ethane;N-ethyl-N-methylpropanamide;N-ethylpropan-1-amine.

Molecular Properties

Compound Name2-amino-1-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]piperidin-1-yl]ethanone;ethane;N-ethyl-N-methylpropanamide;N-ethylpropan-1-amine
PubChem CID145317202
Molecular FormulaC30H63N7O4
Molecular Weight585.88 g/mol
Exact Mass585.49
IUPAC Name2-amino-1-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]piperidin-1-yl]ethanone;ethane;N-ethyl-N-methylpropanamide;N-ethylpropan-1-amine
SMILESCC.CCC(=O)N(C)CC.CCCNCC.NCC(=O)N1CCC(N2CCN(CC(=O)N3CCOCC3)CC2)CC1
InChIInChI=1S/C17H31N5O3.C6H13NO.C5H13N.C2H6/c18-13-16(23)21-3-1-15(2-4-21)20-7-5-19(6-8-20)14-17(24)22-9-11-25-12-10-22;1-4-6(8)7(3)5-2;1-3-5-6-4-2;1-2/h15H,1-14,18H2;4-5H2,1-3H3;6H,3-5H2,1-2H3;1-2H3
InChIKeyPVJQOTUNMQZMES-UHFFFAOYSA-N
XLogP1.32
TPSA114.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.88
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-amino-1-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]piperidin-1-yl]ethanone;ethane;N-ethyl-N-methylpropanamide;N-ethylpropan-1-amine with MolForge

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Related Compounds

4-(2,2-Dimethylpropyl)-3-{2-[4-(morpholin-4-ylcarbonyl)piperidin-1-yl]-2-oxoethyl}piperazin-2-one
CID 16188943
N1-((1-isopropylpiperidin-4-yl)methyl)-N2-(2-morpholinoethyl)oxalamide
CID 16886595
4-(Morpholine-4-carbonyl)-1-piperidin-4-ylpiperazin-2-one
CID 134790004
1-Cyclohexyl-3-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]urea
CID 645711
2-(4-Aminopiperidin-1-yl)-1-(morpholin-4-yl)ethan-1-one
CID 17609490
N-methyl-N-{2-oxo-2-[4-(tetrahydro-2H-pyran-4-yl)-1-piperazinyl]ethyl}-4-piperidinamine dihydrochloride
CID 131899928
2,2,2-Trifluoro-1-[2-(morpholine-4-carbonyl)-4-piperidin-4-ylpiperazin-1-yl]ethanone
CID 11667999
4-{[4-(Piperidin-4-yl)-1-(trifluoroacetyl)piperazin-2-yl]carbonyl}morpholine dihydrochloride
CID 86635786
2-(4-Methylmorpholin-4-ium-4-yl)-1-[4-[2-(4-methylmorpholin-4-ium-4-yl)propanoyl]piperazin-1-yl]propan-1-one
CID 199522
1-Morpholin-4-yl-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 1439625
2-morpholin-4-yl-N-[6-(2-morpholin-4-ylacetylamino)hexyl]acetamide
CID 3996774
2-(4-Methylmorpholin-4-ium-4-yl)-1-[4-[3-(4-methylmorpholin-4-ium-4-yl)propanoyl]piperazin-1-yl]propan-1-one
CID 24840362

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]piperidin-1-yl]ethanone;ethane;N-ethyl-N-methylpropanamide;N-ethylpropan-1-amine?
The IUPAC name of 2-amino-1-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]piperidin-1-yl]ethanone;ethane;N-ethyl-N-methylpropanamide;N-ethylpropan-1-amine (CID 145317202) is 2-amino-1-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]piperidin-1-yl]ethanone;ethane;N-ethyl-N-methylpropanamide;N-ethylpropan-1-amine.
What is the SMILES notation for 2-amino-1-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]piperidin-1-yl]ethanone;ethane;N-ethyl-N-methylpropanamide;N-ethylpropan-1-amine?
The canonical SMILES for 2-amino-1-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]piperidin-1-yl]ethanone;ethane;N-ethyl-N-methylpropanamide;N-ethylpropan-1-amine is CC.CCC(=O)N(C)CC.CCCNCC.NCC(=O)N1CCC(N2CCN(CC(=O)N3CCOCC3)CC2)CC1.
What is the InChIKey of 2-amino-1-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]piperidin-1-yl]ethanone;ethane;N-ethyl-N-methylpropanamide;N-ethylpropan-1-amine?
The InChIKey is PVJQOTUNMQZMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O3.C6H13NO.C5H13N.C2H6/c18-13-16(23)21-3-1-15(2-4-21)20-7-5-19(6-8-20)14-17(24)22-9-11-25-12-10-22;1-4-6(8)7(3)5-2;1-3-5-6-4-2;1-2/h15H,1-14,18H2;4-5H2,1-3H3;6H,3-5H2,1-2H3;1-2H3.
What are the key properties of 2-amino-1-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]piperidin-1-yl]ethanone;ethane;N-ethyl-N-methylpropanamide;N-ethylpropan-1-amine?
2-amino-1-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]piperidin-1-yl]ethanone;ethane;N-ethyl-N-methylpropanamide;N-ethylpropan-1-amine has a molecular weight of 585.88 g/mol, XLogP of 1.32, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]piperidin-1-yl]ethanone;ethane;N-ethyl-N-methylpropanamide;N-ethylpropan-1-amine is sourced from PubChem (CID 145317202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).