N-methyl-2-(5-methylthiophen-2-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]acetamide

C18H23N3OS — CID 124975661

IUPACN-methyl-2-(5-methylthiophen-2-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]acetamide
SMILESCc1ccc(CC(=O)N(C)[C@H]2CCCN(c3ccccn3)C2)s1
InChIInChI=1S/C18H23N3OS/c1-14-8-9-16(23-14)12-18(22)20(2)15-6-5-11-21(13-15)17-7-3-4-10-19-17/h3-4,7-10,15H,5-6,11-13H2,1-2H3/t15-/m0/s1
InChIKeyKZOUGCYNWSWPCC-HNNXBMFYSA-N
MW329.47 g/mol
LogP3.12
Rot. Bonds4

About N-methyl-2-(5-methylthiophen-2-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]acetamide

N-methyl-2-(5-methylthiophen-2-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]acetamide (PubChem CID 124975661) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is N-methyl-2-(5-methylthiophen-2-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(5-methylthiophen-2-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]acetamide
PubChem CID124975661
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC NameN-methyl-2-(5-methylthiophen-2-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]acetamide
SMILESCc1ccc(CC(=O)N(C)[C@H]2CCCN(c3ccccn3)C2)s1
InChIInChI=1S/C18H23N3OS/c1-14-8-9-16(23-14)12-18(22)20(2)15-6-5-11-21(13-15)17-7-3-4-10-19-17/h3-4,7-10,15H,5-6,11-13H2,1-2H3/t15-/m0/s1
InChIKeyKZOUGCYNWSWPCC-HNNXBMFYSA-N
XLogP3.12
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenyl)-N-methyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]acetamide
CID 124987309
N-methyl-3-(2-methylpyrazol-3-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]propanamide
CID 124997513
N-methyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]cyclopentanecarboxamide
CID 124952652
3-imidazol-1-yl-N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]propanamide
CID 124985299
N,6-dimethyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]pyridine-2-carboxamide
CID 124981919
N,1,3-trimethyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]pyrazole-4-carboxamide
CID 124986213
N,1,3-trimethyl-N-(1-pyridin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide
CID 110107211
N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)-2-thiophen-2-ylacetamide
CID 51103465
tert-butyl N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]carbamate
CID 97166902
3-ethyl-N,5-dimethyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]-1,2-oxazole-4-carboxamide
CID 125005100
N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]butanamide
CID 124969226
3-(2-ethylimidazol-1-yl)-N-methyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]propanamide
CID 124939708

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(5-methylthiophen-2-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]acetamide?
The IUPAC name of N-methyl-2-(5-methylthiophen-2-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]acetamide (CID 124975661) is N-methyl-2-(5-methylthiophen-2-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]acetamide.
What is the SMILES notation for N-methyl-2-(5-methylthiophen-2-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]acetamide?
The canonical SMILES for N-methyl-2-(5-methylthiophen-2-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]acetamide is Cc1ccc(CC(=O)N(C)[C@H]2CCCN(c3ccccn3)C2)s1.
What is the InChIKey of N-methyl-2-(5-methylthiophen-2-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]acetamide?
The InChIKey is KZOUGCYNWSWPCC-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-14-8-9-16(23-14)12-18(22)20(2)15-6-5-11-21(13-15)17-7-3-4-10-19-17/h3-4,7-10,15H,5-6,11-13H2,1-2H3/t15-/m0/s1.
What are the key properties of N-methyl-2-(5-methylthiophen-2-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]acetamide?
N-methyl-2-(5-methylthiophen-2-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]acetamide has a molecular weight of 329.47 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(5-methylthiophen-2-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]acetamide is sourced from PubChem (CID 124975661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).