[1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone

C25H31N3O3S — CID 55469027

IUPAC[1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(-c2ccccc2)c(N2CCOCC2)s1)N1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C25H31N3O3S/c29-23(26-10-4-5-11-26)20-8-12-27(13-9-20)24(30)22-18-21(19-6-2-1-3-7-19)25(32-22)28-14-16-31-17-15-28/h1-3,6-7,18,20H,4-5,8-17H2
InChIKeyUQHIOLXAOGHIEF-UHFFFAOYSA-N
MW453.61 g/mol
LogP3.73
Rot. Bonds4

About [1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone

[1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 55469027) has the molecular formula C25H31N3O3S and a molecular weight of 453.61 g/mol. Its IUPAC name is [1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID55469027
Molecular FormulaC25H31N3O3S
Molecular Weight453.61 g/mol
Exact Mass453.21
IUPAC Name[1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(-c2ccccc2)c(N2CCOCC2)s1)N1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C25H31N3O3S/c29-23(26-10-4-5-11-26)20-8-12-27(13-9-20)24(30)22-18-21(19-6-2-1-3-7-19)25(32-22)28-14-16-31-17-15-28/h1-3,6-7,18,20H,4-5,8-17H2
InChIKeyUQHIOLXAOGHIEF-UHFFFAOYSA-N
XLogP3.73
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.61
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

azetidin-1-yl-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 24515046
(4-methoxypiperidin-1-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 55480219
(4-phenyl-5-piperidin-1-ylthiophen-2-yl)-pyrrolidin-1-ylmethanone
CID 20940464
(3,5-dimethylpiperidin-1-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 24538398
N-butyl-N-methyl-1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)piperidine-4-carboxamide
CID 55836288
(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-(3-methylphenyl)piperazin-1-yl]-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 25398433
(4-cyclohexylpiperazin-1-yl)-(4-phenyl-5-piperidin-1-ylthiophen-2-yl)methanone
CID 20940465
N-cyclopentyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 9319192
[(3S)-3-methylpiperidin-1-yl]-(5-morpholin-4-yl-4-pyridin-3-ylthiophen-2-yl)methanone
CID 95856405
N-(cyclopropylmethyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 43047282

Frequently Asked Questions

What is the IUPAC name of [1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 55469027) is [1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone is O=C(c1cc(-c2ccccc2)c(N2CCOCC2)s1)N1CCC(C(=O)N2CCCC2)CC1.
What is the InChIKey of [1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is UQHIOLXAOGHIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3S/c29-23(26-10-4-5-11-26)20-8-12-27(13-9-20)24(30)22-18-21(19-6-2-1-3-7-19)25(32-22)28-14-16-31-17-15-28/h1-3,6-7,18,20H,4-5,8-17H2.
What are the key properties of [1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 453.61 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 55469027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).