N-methyl-N-[2-oxo-2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methylamino]ethyl]benzamide

C21H27N3O2S — CID 49214789

IUPACN-methyl-N-[2-oxo-2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methylamino]ethyl]benzamide
SMILESCN(CC(=O)NCC1CCCN(Cc2cccs2)C1)C(=O)c1ccccc1
InChIInChI=1S/C21H27N3O2S/c1-23(21(26)18-8-3-2-4-9-18)16-20(25)22-13-17-7-5-11-24(14-17)15-19-10-6-12-27-19/h2-4,6,8-10,12,17H,5,7,11,13-16H2,1H3,(H,22,25)
InChIKeyAFEXTYMAUFJBFO-UHFFFAOYSA-N
MW385.53 g/mol
LogP2.85
Rot. Bonds7

About N-methyl-N-[2-oxo-2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methylamino]ethyl]benzamide

N-methyl-N-[2-oxo-2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methylamino]ethyl]benzamide (PubChem CID 49214789) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methylamino]ethyl]benzamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methylamino]ethyl]benzamide
PubChem CID49214789
Molecular FormulaC21H27N3O2S
Molecular Weight385.53 g/mol
Exact Mass385.18
IUPAC NameN-methyl-N-[2-oxo-2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methylamino]ethyl]benzamide
SMILESCN(CC(=O)NCC1CCCN(Cc2cccs2)C1)C(=O)c1ccccc1
InChIInChI=1S/C21H27N3O2S/c1-23(21(26)18-8-3-2-4-9-18)16-20(25)22-13-17-7-5-11-24(14-17)15-19-10-6-12-27-19/h2-4,6,8-10,12,17H,5,7,11,13-16H2,1H3,(H,22,25)
InChIKeyAFEXTYMAUFJBFO-UHFFFAOYSA-N
XLogP2.85
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[(3S)-thiolan-3-yl]amino]-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]acetamide
CID 98794620
1-methyl-1-(2-phenoxyethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea
CID 60606352
2-propylsulfanyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]acetamide
CID 94819206
1-[(2-chlorophenyl)methyl]-1-methyl-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea
CID 49260983
4-(methylamino)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]butanamide;dihydrochloride
CID 119865360
N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopentanecarboxamide
CID 94819121
(2S)-2-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pentanamide
CID 95318380
3-(4-fluorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]propanamide
CID 49215262
3-amino-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]butanamide;dihydrochloride
CID 120503386
1-benzyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-3-carboxamide
CID 49214275
N,N-dimethyl-4-[[[N'-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]carbamimidoyl]amino]methyl]benzamide
CID 111874683
3-(2-aminophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]propanamide
CID 120612729

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methylamino]ethyl]benzamide?
The IUPAC name of N-methyl-N-[2-oxo-2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methylamino]ethyl]benzamide (CID 49214789) is N-methyl-N-[2-oxo-2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methylamino]ethyl]benzamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methylamino]ethyl]benzamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methylamino]ethyl]benzamide is CN(CC(=O)NCC1CCCN(Cc2cccs2)C1)C(=O)c1ccccc1.
What is the InChIKey of N-methyl-N-[2-oxo-2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methylamino]ethyl]benzamide?
The InChIKey is AFEXTYMAUFJBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2S/c1-23(21(26)18-8-3-2-4-9-18)16-20(25)22-13-17-7-5-11-24(14-17)15-19-10-6-12-27-19/h2-4,6,8-10,12,17H,5,7,11,13-16H2,1H3,(H,22,25).
What are the key properties of N-methyl-N-[2-oxo-2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methylamino]ethyl]benzamide?
N-methyl-N-[2-oxo-2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methylamino]ethyl]benzamide has a molecular weight of 385.53 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methylamino]ethyl]benzamide is sourced from PubChem (CID 49214789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).