ethane;N-ethyl-N-methylethanamine;N-ethyl-N-methylpropanamide;2-(methylamino)-1-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]piperidin-1-yl]ethanone

C33H71N7O4 — CID 145317226

IUPACethane;N-ethyl-N-methylethanamine;N-ethyl-N-methylpropanamide;2-(methylamino)-1-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]piperidin-1-yl]ethanone
SMILESCC.CC.CCC(=O)N(C)CC.CCN(C)CC.CNCC(=O)N1CCC(N2CCN(CC(=O)N3CCOCC3)CC2)CC1
InChIInChI=1S/C18H33N5O3.C6H13NO.C5H13N.2C2H6/c1-19-14-17(24)22-4-2-16(3-5-22)21-8-6-20(7-9-21)15-18(25)23-10-12-26-13-11-23;1-4-6(8)7(3)5-2;1-4-6(3)5-2;2*1-2/h16,19H,2-15H2,1H3;4-5H2,1-3H3;4-5H2,1-3H3;2*1-2H3
InChIKeyYVIQEPSZEKVUOK-UHFFFAOYSA-N
MW629.98 g/mol
LogP2.56
Rot. Bonds9

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

ethane;N-ethyl-N-methylethanamine;N-ethyl-N-methylpropanamide;2-(methylamino)-1-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]piperidin-1-yl]ethanone (PubChem CID 145317226) has the molecular formula C33H71N7O4 and a molecular weight of 629.98 g/mol. Its IUPAC name is ethane;N-ethyl-N-methylethanamine;N-ethyl-N-methylpropanamide;2-(methylamino)-1-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Nameethane;N-ethyl-N-methylethanamine;N-ethyl-N-methylpropanamide;2-(methylamino)-1-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]piperidin-1-yl]ethanone
PubChem CID145317226
Molecular FormulaC33H71N7O4
Molecular Weight629.98 g/mol
Exact Mass629.56
IUPAC Nameethane;N-ethyl-N-methylethanamine;N-ethyl-N-methylpropanamide;2-(methylamino)-1-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]piperidin-1-yl]ethanone
SMILESCC.CC.CCC(=O)N(C)CC.CCN(C)CC.CNCC(=O)N1CCC(N2CCN(CC(=O)N3CCOCC3)CC2)CC1
InChIInChI=1S/C18H33N5O3.C6H13NO.C5H13N.2C2H6/c1-19-14-17(24)22-4-2-16(3-5-22)21-8-6-20(7-9-21)15-18(25)23-10-12-26-13-11-23;1-4-6(8)7(3)5-2;1-4-6(3)5-2;2*1-2/h16,19H,2-15H2,1H3;4-5H2,1-3H3;4-5H2,1-3H3;2*1-2H3
InChIKeyYVIQEPSZEKVUOK-UHFFFAOYSA-N
XLogP2.56
TPSA91.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500629.98
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

2-(methylamino)-1-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone;dihydrochloride
CID 119858142
2-[4-(methylamino)piperidin-1-yl]-1-morpholin-4-ylethanone;hydrochloride
CID 119923636
2-(dimethylamino)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone;methane
CID 168941007
2-(cyclopropylmethylamino)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone
CID 119834260
N,N-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
CID 52542447
N-methyl-N-(4-methylcyclohexyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide
CID 55409131
2-(methylamino)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 54869583
ethyl 1-(2-morpholin-4-ylacetyl)piperidine-4-carboxylate
CID 54814212
methyl 1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate
CID 55505875
4-(methylamino)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119834225
2-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 59542495
1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 60773954

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-N-methylethanamine;N-ethyl-N-methylpropanamide;2-(methylamino)-1-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of ethane;N-ethyl-N-methylethanamine;N-ethyl-N-methylpropanamide;2-(methylamino)-1-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]piperidin-1-yl]ethanone (CID 145317226) is ethane;N-ethyl-N-methylethanamine;N-ethyl-N-methylpropanamide;2-(methylamino)-1-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for ethane;N-ethyl-N-methylethanamine;N-ethyl-N-methylpropanamide;2-(methylamino)-1-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for ethane;N-ethyl-N-methylethanamine;N-ethyl-N-methylpropanamide;2-(methylamino)-1-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]piperidin-1-yl]ethanone is CC.CC.CCC(=O)N(C)CC.CCN(C)CC.CNCC(=O)N1CCC(N2CCN(CC(=O)N3CCOCC3)CC2)CC1.
What is the InChIKey of ethane;N-ethyl-N-methylethanamine;N-ethyl-N-methylpropanamide;2-(methylamino)-1-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]piperidin-1-yl]ethanone?
The InChIKey is YVIQEPSZEKVUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N5O3.C6H13NO.C5H13N.2C2H6/c1-19-14-17(24)22-4-2-16(3-5-22)21-8-6-20(7-9-21)15-18(25)23-10-12-26-13-11-23;1-4-6(8)7(3)5-2;1-4-6(3)5-2;2*1-2/h16,19H,2-15H2,1H3;4-5H2,1-3H3;4-5H2,1-3H3;2*1-2H3.
What are the key properties of ethane;N-ethyl-N-methylethanamine;N-ethyl-N-methylpropanamide;2-(methylamino)-1-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]piperidin-1-yl]ethanone?
ethane;N-ethyl-N-methylethanamine;N-ethyl-N-methylpropanamide;2-(methylamino)-1-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]piperidin-1-yl]ethanone has a molecular weight of 629.98 g/mol, XLogP of 2.56, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-N-methylethanamine;N-ethyl-N-methylpropanamide;2-(methylamino)-1-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 145317226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).