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

C21H23ClN2O3 — CID 30839694

IUPAC[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]-[(3S)-1-(furan-3-carbonyl)piperidin-3-yl]methanone
SMILESO=C(c1ccoc1)N1CCC[C@H](C(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)C1
InChIInChI=1S/C21H23ClN2O3/c22-18-7-5-15(6-8-18)19-4-2-11-24(19)21(26)16-3-1-10-23(13-16)20(25)17-9-12-27-14-17/h5-9,12,14,16,19H,1-4,10-11,13H2/t16-,19+/m0/s1
InChIKeyGSOBJIBRZJSPTF-QFBILLFUSA-N
MW386.88 g/mol
LogP4.15
Rot. Bonds3

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

[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]-[(3S)-1-(furan-3-carbonyl)piperidin-3-yl]methanone (PubChem CID 30839694) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is [(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]-[(3S)-1-(furan-3-carbonyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]-[(3S)-1-(furan-3-carbonyl)piperidin-3-yl]methanone
PubChem CID30839694
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC Name[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]-[(3S)-1-(furan-3-carbonyl)piperidin-3-yl]methanone
SMILESO=C(c1ccoc1)N1CCC[C@H](C(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)C1
InChIInChI=1S/C21H23ClN2O3/c22-18-7-5-15(6-8-18)19-4-2-11-24(19)21(26)16-3-1-10-23(13-16)20(25)17-9-12-27-14-17/h5-9,12,14,16,19H,1-4,10-11,13H2/t16-,19+/m0/s1
InChIKeyGSOBJIBRZJSPTF-QFBILLFUSA-N
XLogP4.15
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

[(3S)-1-(4-chlorobenzoyl)piperidin-3-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone
CID 32820227
[1-(4-chlorobenzoyl)piperidin-3-yl]-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 134024017
methyl (3S)-1-(furan-3-carbonyl)piperidine-3-carboxylate
CID 78919632
N-[1-(4-chlorophenyl)ethyl]-1-(furan-3-carbonyl)-N-methylpiperidine-3-carboxamide
CID 46588687
N-(3,5-dichlorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 42948171
1-(furan-3-carbonyl)-N,N-dimethylpiperidine-3-carboxamide
CID 42891354
N-(3-chloro-4-fluorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 42948189
(4-chloro-2-methylphenyl) (3R)-1-(furan-3-carbonyl)piperidine-3-carboxylate
CID 51870501
furan-3-yl-[2-(4-methoxyphenyl)azepan-1-yl]methanone
CID 51267049
furan-3-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 24631497
[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 51930904
[2-(chloromethyl)pyrrolidin-1-yl]-(furan-3-yl)methanone
CID 63394223

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]-[(3S)-1-(furan-3-carbonyl)piperidin-3-yl]methanone?
The IUPAC name of [(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]-[(3S)-1-(furan-3-carbonyl)piperidin-3-yl]methanone (CID 30839694) is [(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]-[(3S)-1-(furan-3-carbonyl)piperidin-3-yl]methanone.
What is the SMILES notation for [(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]-[(3S)-1-(furan-3-carbonyl)piperidin-3-yl]methanone?
The canonical SMILES for [(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]-[(3S)-1-(furan-3-carbonyl)piperidin-3-yl]methanone is O=C(c1ccoc1)N1CCC[C@H](C(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)C1.
What is the InChIKey of [(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]-[(3S)-1-(furan-3-carbonyl)piperidin-3-yl]methanone?
The InChIKey is GSOBJIBRZJSPTF-QFBILLFUSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c22-18-7-5-15(6-8-18)19-4-2-11-24(19)21(26)16-3-1-10-23(13-16)20(25)17-9-12-27-14-17/h5-9,12,14,16,19H,1-4,10-11,13H2/t16-,19+/m0/s1.
What are the key properties of [(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]-[(3S)-1-(furan-3-carbonyl)piperidin-3-yl]methanone?
[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]-[(3S)-1-(furan-3-carbonyl)piperidin-3-yl]methanone has a molecular weight of 386.88 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]-[(3S)-1-(furan-3-carbonyl)piperidin-3-yl]methanone is sourced from PubChem (CID 30839694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).