1-(cyclopropanecarbonyl)-N-[(5-methylthiophen-2-yl)methyl]piperidine-4-carboxamide

C16H22N2O2S — CID 47043676

IUPAC1-(cyclopropanecarbonyl)-N-[(5-methylthiophen-2-yl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(C(=O)C3CC3)CC2)s1
InChIInChI=1S/C16H22N2O2S/c1-11-2-5-14(21-11)10-17-15(19)12-6-8-18(9-7-12)16(20)13-3-4-13/h2,5,12-13H,3-4,6-10H2,1H3,(H,17,19)
InChIKeyOCPBRQFOBYOELW-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.32
Rot. Bonds4

About 1-(cyclopropanecarbonyl)-N-[(5-methylthiophen-2-yl)methyl]piperidine-4-carboxamide

1-(cyclopropanecarbonyl)-N-[(5-methylthiophen-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 47043676) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-[(5-methylthiophen-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-[(5-methylthiophen-2-yl)methyl]piperidine-4-carboxamide
PubChem CID47043676
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name1-(cyclopropanecarbonyl)-N-[(5-methylthiophen-2-yl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(C(=O)C3CC3)CC2)s1
InChIInChI=1S/C16H22N2O2S/c1-11-2-5-14(21-11)10-17-15(19)12-6-8-18(9-7-12)16(20)13-3-4-13/h2,5,12-13H,3-4,6-10H2,1H3,(H,17,19)
InChIKeyOCPBRQFOBYOELW-UHFFFAOYSA-N
XLogP2.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[(5-methylthiophen-2-yl)methyl]piperidine-1,4-dicarboxamide
CID 47238607
1-(cyclopropanecarbonyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 39730995
(3S)-N-[(5-methylthiophen-2-yl)methyl]-1,1-dioxothiolane-3-carboxamide
CID 94200158
1-(4-chlorophenyl)sulfonyl-N-[(5-methylthiophen-2-yl)methyl]piperidine-4-carboxamide
CID 55794642
N-[(5-methylthiophen-2-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 71941255
1-(cyclopropanecarbonyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 31642647
1-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 45195394
5-[[(1-benzoylpiperidine-4-carbonyl)amino]methyl]thiophene-2-carboxylic acid
CID 122110854
(2S)-2-N-[(5-methylthiophen-2-yl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 95336171
1-(cyclopropanecarbonyl)-N-[(1,5-dimethylindazol-3-yl)methyl]piperidine-4-carboxamide
CID 72852922
cyclopropyl-[4-[1-(5-methylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone
CID 43747882
1-(cyclopropanecarbonyl)-N-[(6-methoxynaphthalen-2-yl)methyl]piperidine-4-carboxamide
CID 46692059

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-[(5-methylthiophen-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-[(5-methylthiophen-2-yl)methyl]piperidine-4-carboxamide (CID 47043676) is 1-(cyclopropanecarbonyl)-N-[(5-methylthiophen-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-[(5-methylthiophen-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-[(5-methylthiophen-2-yl)methyl]piperidine-4-carboxamide is Cc1ccc(CNC(=O)C2CCN(C(=O)C3CC3)CC2)s1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-[(5-methylthiophen-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is OCPBRQFOBYOELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-11-2-5-14(21-11)10-17-15(19)12-6-8-18(9-7-12)16(20)13-3-4-13/h2,5,12-13H,3-4,6-10H2,1H3,(H,17,19).
What are the key properties of 1-(cyclopropanecarbonyl)-N-[(5-methylthiophen-2-yl)methyl]piperidine-4-carboxamide?
1-(cyclopropanecarbonyl)-N-[(5-methylthiophen-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 306.43 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-[(5-methylthiophen-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 47043676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).