N-benzyl-N-butyl-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide

C23H32N2OS — CID 2187048

IUPACN-benzyl-N-butyl-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide
SMILESCCCCN(Cc1ccccc1)C(=O)C1CCN(Cc2sccc2C)CC1
InChIInChI=1S/C23H32N2OS/c1-3-4-13-25(17-20-8-6-5-7-9-20)23(26)21-10-14-24(15-11-21)18-22-19(2)12-16-27-22/h5-9,12,16,21H,3-4,10-11,13-15,17-18H2,1-2H3
InChIKeyFXTZFNUTQSKHMS-UHFFFAOYSA-N
MW384.59 g/mol
LogP5.10
Rot. Bonds8

About N-benzyl-N-butyl-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide

N-benzyl-N-butyl-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 2187048) has the molecular formula C23H32N2OS and a molecular weight of 384.59 g/mol. Its IUPAC name is N-benzyl-N-butyl-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-butyl-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide
PubChem CID2187048
Molecular FormulaC23H32N2OS
Molecular Weight384.59 g/mol
Exact Mass384.22
IUPAC NameN-benzyl-N-butyl-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide
SMILESCCCCN(Cc1ccccc1)C(=O)C1CCN(Cc2sccc2C)CC1
InChIInChI=1S/C23H32N2OS/c1-3-4-13-25(17-20-8-6-5-7-9-20)23(26)21-10-14-24(15-11-21)18-22-19(2)12-16-27-22/h5-9,12,16,21H,3-4,10-11,13-15,17-18H2,1-2H3
InChIKeyFXTZFNUTQSKHMS-UHFFFAOYSA-N
XLogP5.10
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.59
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Phenyl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 2740735
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-thiophen-2-ylmethanone
CID 2567966
[4-(5-Ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-phenylmethanone
CID 4780261
4-Benzylpiperazinyl 2-thienyl ketone
CID 757483
(E)-N-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 67511313
N-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 67512015
Thiophene-2-carboxamide, N-benzyl-N-tert-butyl-
CID 574008
N-benzyl-N-(propan-2-yl)thiophene-2-carboxamide
CID 668925
3-Methyl-1-[4-(4-methylsulfanyl-benzyl)-piperazin-1-yl]-butan-1-one
CID 742527
4-(2-Phenylethyl)piperazinyl 2-thienyl ketone
CID 1246520
N-(1-benzylpiperidin-4-yl)-2-(thiophen-2-yl)acetamide
CID 2712605
N,N-diethyl-1-[(3-methyl-2-thienyl)methyl]-3-piperidinecarboxamide
CID 2838079

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-butyl-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-N-butyl-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide (CID 2187048) is N-benzyl-N-butyl-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-butyl-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-N-butyl-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide is CCCCN(Cc1ccccc1)C(=O)C1CCN(Cc2sccc2C)CC1.
What is the InChIKey of N-benzyl-N-butyl-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is FXTZFNUTQSKHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2OS/c1-3-4-13-25(17-20-8-6-5-7-9-20)23(26)21-10-14-24(15-11-21)18-22-19(2)12-16-27-22/h5-9,12,16,21H,3-4,10-11,13-15,17-18H2,1-2H3.
What are the key properties of N-benzyl-N-butyl-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide?
N-benzyl-N-butyl-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 384.59 g/mol, XLogP of 5.10, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-butyl-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 2187048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).