[4-phenyl-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone

C21H24N2O2S — CID 42680175

IUPAC[4-phenyl-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cccs1)N1CC(C(=O)N2CCCCC2)C(c2ccccc2)C1
InChIInChI=1S/C21H24N2O2S/c24-20(22-11-5-2-6-12-22)18-15-23(21(25)19-10-7-13-26-19)14-17(18)16-8-3-1-4-9-16/h1,3-4,7-10,13,17-18H,2,5-6,11-12,14-15H2
InChIKeyBKGGOTFEHFGZHK-UHFFFAOYSA-N
MW368.50 g/mol
LogP3.62
Rot. Bonds3

About [4-phenyl-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone

[4-phenyl-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone (PubChem CID 42680175) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is [4-phenyl-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-phenyl-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
PubChem CID42680175
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC Name[4-phenyl-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cccs1)N1CC(C(=O)N2CCCCC2)C(c2ccccc2)C1
InChIInChI=1S/C21H24N2O2S/c24-20(22-11-5-2-6-12-22)18-15-23(21(25)19-10-7-13-26-19)14-17(18)16-8-3-1-4-9-16/h1,3-4,7-10,13,17-18H,2,5-6,11-12,14-15H2
InChIKeyBKGGOTFEHFGZHK-UHFFFAOYSA-N
XLogP3.62
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Thiophene-3-carbonitrile, 2-methylthio-5-(1-piperidinylcarbonyl)-4-(2-thienyl)-
CID 617079
Phenyl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 2740735
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-thiophen-2-ylmethanone
CID 2567966
N1-[1-(2-thienylcarbonyl)-4-piperidyl]benzamide
CID 2729508
[4-(5-Ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-phenylmethanone
CID 4780261
(5-Ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone
CID 6466553
1-[(5,5-dioxido-4H-thieno[3,2-c]thiochromen-2-yl)carbonyl]pyrrolidine
CID 6623577
3-cyano-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 9166619
1-(4,5,6,7-Tetrahydro-1-benzothiophene-2-carbonyl)piperidine-4-carboxamide
CID 24979733
[(3S,4S)-3-phenyl-4-[(4-phenyl-1-piperidyl)methyl]pyrrolidin-1-yl]-(2-thienyl)methanone
CID 489822
4-Benzylpiperazinyl 2-thienyl ketone
CID 757483
N,N-Diethyl-4-(piperidin-4-ylidene-thiophen-2-yl-methyl)-benzamide
CID 10760626

Frequently Asked Questions

What is the IUPAC name of [4-phenyl-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [4-phenyl-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone (CID 42680175) is [4-phenyl-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-phenyl-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-phenyl-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone is O=C(c1cccs1)N1CC(C(=O)N2CCCCC2)C(c2ccccc2)C1.
What is the InChIKey of [4-phenyl-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is BKGGOTFEHFGZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c24-20(22-11-5-2-6-12-22)18-15-23(21(25)19-10-7-13-26-19)14-17(18)16-8-3-1-4-9-16/h1,3-4,7-10,13,17-18H,2,5-6,11-12,14-15H2.
What are the key properties of [4-phenyl-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone?
[4-phenyl-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 368.50 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-phenyl-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 42680175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).