(4-phenyl-5-piperidin-1-ylthiophen-2-yl)-pyrrolidin-1-ylmethanone

C20H24N2OS — CID 20940464

IUPAC(4-phenyl-5-piperidin-1-ylthiophen-2-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(-c2ccccc2)c(N2CCCCC2)s1)N1CCCC1
InChIInChI=1S/C20H24N2OS/c23-19(21-11-7-8-12-21)18-15-17(16-9-3-1-4-10-16)20(24-18)22-13-5-2-6-14-22/h1,3-4,9-10,15H,2,5-8,11-14H2
InChIKeyMOBDWEURBIUVNK-UHFFFAOYSA-N
MW340.49 g/mol
LogP4.64
Rot. Bonds3

About (4-phenyl-5-piperidin-1-ylthiophen-2-yl)-pyrrolidin-1-ylmethanone

(4-phenyl-5-piperidin-1-ylthiophen-2-yl)-pyrrolidin-1-ylmethanone (PubChem CID 20940464) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is (4-phenyl-5-piperidin-1-ylthiophen-2-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(4-phenyl-5-piperidin-1-ylthiophen-2-yl)-pyrrolidin-1-ylmethanone
PubChem CID20940464
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC Name(4-phenyl-5-piperidin-1-ylthiophen-2-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(-c2ccccc2)c(N2CCCCC2)s1)N1CCCC1
InChIInChI=1S/C20H24N2OS/c23-19(21-11-7-8-12-21)18-15-17(16-9-3-1-4-10-16)20(24-18)22-13-5-2-6-14-22/h1,3-4,9-10,15H,2,5-8,11-14H2
InChIKeyMOBDWEURBIUVNK-UHFFFAOYSA-N
XLogP4.64
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

azetidin-1-yl-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 24515046
(4-cyclohexylpiperazin-1-yl)-(4-phenyl-5-piperidin-1-ylthiophen-2-yl)methanone
CID 20940465
[1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55469027
(4-methylsulfonyl-1,4-diazepan-1-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 24667301
(4-benzylpiperazin-1-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 24513631
(4-methoxypiperidin-1-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 55480219
(3,5-dimethylpiperidin-1-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 24538398
[4-(3-methylphenyl)piperazin-1-yl]-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 25398433
5-(azepan-1-yl)-N-(3-methoxypropyl)-4-phenylthiophene-2-carboxamide
CID 20940483
N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-phenyl-5-piperidin-1-ylthiophene-2-carboxamide
CID 20940455
5-(azepan-1-yl)-N-[(2-methoxyphenyl)methyl]-4-phenylthiophene-2-carboxamide
CID 20940482
[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 46637403

Frequently Asked Questions

What is the IUPAC name of (4-phenyl-5-piperidin-1-ylthiophen-2-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (4-phenyl-5-piperidin-1-ylthiophen-2-yl)-pyrrolidin-1-ylmethanone (CID 20940464) is (4-phenyl-5-piperidin-1-ylthiophen-2-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (4-phenyl-5-piperidin-1-ylthiophen-2-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (4-phenyl-5-piperidin-1-ylthiophen-2-yl)-pyrrolidin-1-ylmethanone is O=C(c1cc(-c2ccccc2)c(N2CCCCC2)s1)N1CCCC1.
What is the InChIKey of (4-phenyl-5-piperidin-1-ylthiophen-2-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is MOBDWEURBIUVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS/c23-19(21-11-7-8-12-21)18-15-17(16-9-3-1-4-10-16)20(24-18)22-13-5-2-6-14-22/h1,3-4,9-10,15H,2,5-8,11-14H2.
What are the key properties of (4-phenyl-5-piperidin-1-ylthiophen-2-yl)-pyrrolidin-1-ylmethanone?
(4-phenyl-5-piperidin-1-ylthiophen-2-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 340.49 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenyl-5-piperidin-1-ylthiophen-2-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 20940464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).