(3S)-1-(furan-3-carbonyl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide

C21H25N3O3 — CID 30806067

IUPAC(3S)-1-(furan-3-carbonyl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1N1CCCC1)[C@H]1CCCN(C(=O)c2ccoc2)C1
InChIInChI=1S/C21H25N3O3/c25-20(22-18-7-1-2-8-19(18)23-10-3-4-11-23)16-6-5-12-24(14-16)21(26)17-9-13-27-15-17/h1-2,7-9,13,15-16H,3-6,10-12,14H2,(H,22,25)/t16-/m0/s1
InChIKeyTWNQJMGPFMKPOC-INIZCTEOSA-N
MW367.45 g/mol
LogP3.37
Rot. Bonds4

About (3S)-1-(furan-3-carbonyl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide

(3S)-1-(furan-3-carbonyl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide (PubChem CID 30806067) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is (3S)-1-(furan-3-carbonyl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(furan-3-carbonyl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
PubChem CID30806067
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name(3S)-1-(furan-3-carbonyl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1N1CCCC1)[C@H]1CCCN(C(=O)c2ccoc2)C1
InChIInChI=1S/C21H25N3O3/c25-20(22-18-7-1-2-8-19(18)23-10-3-4-11-23)16-6-5-12-24(14-16)21(26)17-9-13-27-15-17/h1-2,7-9,13,15-16H,3-6,10-12,14H2,(H,22,25)/t16-/m0/s1
InChIKeyTWNQJMGPFMKPOC-INIZCTEOSA-N
XLogP3.37
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-3-carbonyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
CID 46569424
N-(2-benzylphenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 46569506
N-(2,4-difluorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 46569045
N-(2-piperidin-1-ylphenyl)-1-propanoylpiperidine-3-carboxamide
CID 60529718
N-(2-bromo-4-methylphenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 42948198
N-(3,5-dichlorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 42948171
N-[2-(4-ethylpiperazin-1-yl)phenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 24535038
(3S)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 30830527
methyl 4-[[1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]benzoate
CID 46568061
1-(furan-3-carbonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 46577074
N-(3,4-dichlorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 46568104
N-(2-piperidin-1-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 55557554

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(furan-3-carbonyl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(furan-3-carbonyl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide (CID 30806067) is (3S)-1-(furan-3-carbonyl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(furan-3-carbonyl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(furan-3-carbonyl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide is O=C(Nc1ccccc1N1CCCC1)[C@H]1CCCN(C(=O)c2ccoc2)C1.
What is the InChIKey of (3S)-1-(furan-3-carbonyl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide?
The InChIKey is TWNQJMGPFMKPOC-INIZCTEOSA-N. The full InChI is InChI=1S/C21H25N3O3/c25-20(22-18-7-1-2-8-19(18)23-10-3-4-11-23)16-6-5-12-24(14-16)21(26)17-9-13-27-15-17/h1-2,7-9,13,15-16H,3-6,10-12,14H2,(H,22,25)/t16-/m0/s1.
What are the key properties of (3S)-1-(furan-3-carbonyl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide?
(3S)-1-(furan-3-carbonyl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(furan-3-carbonyl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 30806067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).