1-(furan-2-carbonyl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide

C24H31N3O4 — CID 41089696

IUPAC1-(furan-2-carbonyl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide
SMILESCOc1ccc([C@@H](CNC(=O)C2CCN(C(=O)c3ccco3)CC2)N2CCCC2)cc1
InChIInChI=1S/C24H31N3O4/c1-30-20-8-6-18(7-9-20)21(26-12-2-3-13-26)17-25-23(28)19-10-14-27(15-11-19)24(29)22-5-4-16-31-22/h4-9,16,19,21H,2-3,10-15,17H2,1H3,(H,25,28)/t21-/m1/s1
InChIKeyKWYLCFNCGAQEFL-OAQYLSRUSA-N
MW425.53 g/mol
LogP3.09
Rot. Bonds7

About 1-(furan-2-carbonyl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide

1-(furan-2-carbonyl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide (PubChem CID 41089696) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is 1-(furan-2-carbonyl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(furan-2-carbonyl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide
PubChem CID41089696
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Name1-(furan-2-carbonyl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide
SMILESCOc1ccc([C@@H](CNC(=O)C2CCN(C(=O)c3ccco3)CC2)N2CCCC2)cc1
InChIInChI=1S/C24H31N3O4/c1-30-20-8-6-18(7-9-20)21(26-12-2-3-13-26)17-25-23(28)19-10-14-27(15-11-19)24(29)22-5-4-16-31-22/h4-9,16,19,21H,2-3,10-15,17H2,1H3,(H,25,28)/t21-/m1/s1
InChIKeyKWYLCFNCGAQEFL-OAQYLSRUSA-N
XLogP3.09
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(furan-2-carbonyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N'-methylpiperazine-1-carboximidamide
CID 111168767
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide;hydrochloride
CID 52984979
1-(2,2-dimethylpropanoyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide
CID 55364403
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55713124
N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 43006599
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]cyclohexanecarboxamide
CID 16811484
1-(furan-2-carbonyl)-N-(2-methyl-3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 55980146
4-N-(2-hydroxyphenyl)-1-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-1,4-dicarboxamide
CID 17486442
4-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-1,4-dicarboxamide
CID 94164796
4-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-1,4-dicarboxamide
CID 94164797
methyl 1-[N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111253175
N-[5-[[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 35049364

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-carbonyl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(furan-2-carbonyl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide (CID 41089696) is 1-(furan-2-carbonyl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(furan-2-carbonyl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(furan-2-carbonyl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide is COc1ccc([C@@H](CNC(=O)C2CCN(C(=O)c3ccco3)CC2)N2CCCC2)cc1.
What is the InChIKey of 1-(furan-2-carbonyl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide?
The InChIKey is KWYLCFNCGAQEFL-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-30-20-8-6-18(7-9-20)21(26-12-2-3-13-26)17-25-23(28)19-10-14-27(15-11-19)24(29)22-5-4-16-31-22/h4-9,16,19,21H,2-3,10-15,17H2,1H3,(H,25,28)/t21-/m1/s1.
What are the key properties of 1-(furan-2-carbonyl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide?
1-(furan-2-carbonyl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide has a molecular weight of 425.53 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-carbonyl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide is sourced from PubChem (CID 41089696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).