N-[(5-chlorothiophen-2-yl)methyl]-3-methylpiperidine-1-carboxamide

C12H17ClN2OS — CID 75813166

IUPACN-[(5-chlorothiophen-2-yl)methyl]-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NCc2ccc(Cl)s2)C1
InChIInChI=1S/C12H17ClN2OS/c1-9-3-2-6-15(8-9)12(16)14-7-10-4-5-11(13)17-10/h4-5,9H,2-3,6-8H2,1H3,(H,14,16)
InChIKeyZOZDGPFLFXSFPI-UHFFFAOYSA-N
MW272.80 g/mol
LogP3.34
Rot. Bonds2

About N-[(5-chlorothiophen-2-yl)methyl]-3-methylpiperidine-1-carboxamide

N-[(5-chlorothiophen-2-yl)methyl]-3-methylpiperidine-1-carboxamide (PubChem CID 75813166) has the molecular formula C12H17ClN2OS and a molecular weight of 272.80 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-3-methylpiperidine-1-carboxamide
PubChem CID75813166
Molecular FormulaC12H17ClN2OS
Molecular Weight272.80 g/mol
Exact Mass272.08
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NCc2ccc(Cl)s2)C1
InChIInChI=1S/C12H17ClN2OS/c1-9-3-2-6-15(8-9)12(16)14-7-10-4-5-11(13)17-10/h4-5,9H,2-3,6-8H2,1H3,(H,14,16)
InChIKeyZOZDGPFLFXSFPI-UHFFFAOYSA-N
XLogP3.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-acetyl-N-[(5-chlorothiophen-2-yl)methyl]-1,4-diazepane-1-carboxamide
CID 51084818
(3S)-N-[(5-chlorothiophen-2-yl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 124606796
(4aR,8aR)-N-[(5-chlorothiophen-2-yl)methyl]-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-carboxamide
CID 124611075
(3aS,6aS)-N-[(5-chlorothiophen-2-yl)methyl]-1,1-dioxo-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole-5-carboxamide
CID 136588124
1-[(5-methylthiophen-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 62056913
3-methyl-N-(1,2-oxazol-5-ylmethyl)piperidine-1-carboxamide
CID 106415578
N-ethyl-3-methylpiperidine-1-carboxamide
CID 89048200
N-[(5-ethylthiophen-2-yl)methyl]-N',3-dimethylpiperidine-1-carboximidamide
CID 111144482
4-methyl-2-[[(3-methylpiperidine-1-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid
CID 63630024
4-(4-carbamoyltriazol-1-yl)-N-[(5-chlorothiophen-2-yl)methyl]piperidine-1-carboxamide
CID 126826858
3-[5-[[(3-methylpiperidine-1-carbonyl)amino]methyl]thiophen-3-yl]prop-2-enoic acid
CID 79159049
(3R)-N-[[2-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-1-carboxamide
CID 95641004

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-3-methylpiperidine-1-carboxamide (CID 75813166) is N-[(5-chlorothiophen-2-yl)methyl]-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-3-methylpiperidine-1-carboxamide is CC1CCCN(C(=O)NCc2ccc(Cl)s2)C1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-3-methylpiperidine-1-carboxamide?
The InChIKey is ZOZDGPFLFXSFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2OS/c1-9-3-2-6-15(8-9)12(16)14-7-10-4-5-11(13)17-10/h4-5,9H,2-3,6-8H2,1H3,(H,14,16).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-3-methylpiperidine-1-carboxamide?
N-[(5-chlorothiophen-2-yl)methyl]-3-methylpiperidine-1-carboxamide has a molecular weight of 272.80 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 75813166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).