[(2S)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]-thiophen-2-ylmethanone

C17H26N2OS — CID 29348207

IUPAC[(2S)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCCC[C@H]1CCN1CCCCC1
InChIInChI=1S/C17H26N2OS/c20-17(16-8-6-14-21-16)19-12-5-2-7-15(19)9-13-18-10-3-1-4-11-18/h6,8,14-15H,1-5,7,9-13H2/t15-/m0/s1
InChIKeyCBWLDACJAQNNJU-HNNXBMFYSA-N
MW306.47 g/mol
LogP3.62
Rot. Bonds4

About [(2S)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]-thiophen-2-ylmethanone

[(2S)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 29348207) has the molecular formula C17H26N2OS and a molecular weight of 306.47 g/mol. Its IUPAC name is [(2S)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[(2S)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]-thiophen-2-ylmethanone
PubChem CID29348207
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC Name[(2S)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCCC[C@H]1CCN1CCCCC1
InChIInChI=1S/C17H26N2OS/c20-17(16-8-6-14-21-16)19-12-5-2-7-15(19)9-13-18-10-3-1-4-11-18/h6,8,14-15H,1-5,7,9-13H2/t15-/m0/s1
InChIKeyCBWLDACJAQNNJU-HNNXBMFYSA-N
XLogP3.62
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl-[(2S)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone
CID 40776058
phenyl-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 29348343
[2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(2-chlorophenyl)methanone
CID 23607111
pyridin-4-yl-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 95111669
phenyl-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride
CID 52984889
(2-methylphenyl)-[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone
CID 40776068
[(2S)-2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 29348390
(4-bromophenyl)-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone
CID 17011291
(2-methylphenyl)-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 29339285
furan-2-yl-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 29348367
[2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 23607107
[(2R)-2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 26819143

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [(2S)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]-thiophen-2-ylmethanone (CID 29348207) is [(2S)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [(2S)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [(2S)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCCC[C@H]1CCN1CCCCC1.
What is the InChIKey of [(2S)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is CBWLDACJAQNNJU-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H26N2OS/c20-17(16-8-6-14-21-16)19-12-5-2-7-15(19)9-13-18-10-3-1-4-11-18/h6,8,14-15H,1-5,7,9-13H2/t15-/m0/s1.
What are the key properties of [(2S)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]-thiophen-2-ylmethanone?
[(2S)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 306.47 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 29348207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).