[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone

C22H26N2O4 — CID 51930904

IUPAC[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc([C@@H]2CCCN2C(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)cc1
InChIInChI=1S/C22H26N2O4/c1-27-18-10-8-16(9-11-18)19-6-3-13-24(19)21(25)17-5-2-12-23(15-17)22(26)20-7-4-14-28-20/h4,7-11,14,17,19H,2-3,5-6,12-13,15H2,1H3/t17-,19-/m0/s1
InChIKeyCIHWLVPPSWDIDW-HKUYNNGSSA-N
MW382.46 g/mol
LogP3.50
Rot. Bonds4

About [(3S)-1-(furan-2-carbonyl)piperidin-3-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone

[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone (PubChem CID 51930904) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is [(3S)-1-(furan-2-carbonyl)piperidin-3-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
PubChem CID51930904
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc([C@@H]2CCCN2C(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)cc1
InChIInChI=1S/C22H26N2O4/c1-27-18-10-8-16(9-11-18)19-6-3-13-24(19)21(25)17-5-2-12-23(15-17)22(26)20-7-4-14-28-20/h4,7-11,14,17,19H,2-3,5-6,12-13,15H2,1H3/t17-,19-/m0/s1
InChIKeyCIHWLVPPSWDIDW-HKUYNNGSSA-N
XLogP3.50
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3S)-1-(furan-2-carbonyl)piperidin-3-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclobutyl-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 42919736
[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 99855360
[1-(furan-2-carbonyl)piperidin-3-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 43045608
[1-(furan-2-carbonyl)piperidin-3-yl]-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 43043373
furan-2-yl-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 60716835
N-[3-[2-(4-methoxyphenyl)azepan-1-yl]-3-oxopropyl]furan-2-carboxamide
CID 42920543
[2-(4-bromophenyl)pyrrolidin-1-yl]-(furan-2-yl)methanone
CID 47313418
[2-(4-methoxyphenyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone
CID 42919745
3,4-dihydro-1H-isoquinolin-2-yl-[1-(furan-2-carbonyl)piperidin-3-yl]methanone
CID 46515588
3,4-dihydro-1H-isoquinolin-2-yl-[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]methanone
CID 32615042
(3-aminocyclohexyl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119687293
furan-3-yl-[2-(4-methoxyphenyl)azepan-1-yl]methanone
CID 51267049

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(furan-2-carbonyl)piperidin-3-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [(3S)-1-(furan-2-carbonyl)piperidin-3-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone (CID 51930904) is [(3S)-1-(furan-2-carbonyl)piperidin-3-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [(3S)-1-(furan-2-carbonyl)piperidin-3-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [(3S)-1-(furan-2-carbonyl)piperidin-3-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone is COc1ccc([C@@H]2CCCN2C(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)cc1.
What is the InChIKey of [(3S)-1-(furan-2-carbonyl)piperidin-3-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is CIHWLVPPSWDIDW-HKUYNNGSSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-27-18-10-8-16(9-11-18)19-6-3-13-24(19)21(25)17-5-2-12-23(15-17)22(26)20-7-4-14-28-20/h4,7-11,14,17,19H,2-3,5-6,12-13,15H2,1H3/t17-,19-/m0/s1.
What are the key properties of [(3S)-1-(furan-2-carbonyl)piperidin-3-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 382.46 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(furan-2-carbonyl)piperidin-3-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 51930904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).