(3S,5S)-N-phenyl-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxamide

C16H21N3O2 — CID 23646020

IUPAC(3S,5S)-N-phenyl-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1)[C@@H]1CN[C@H](C(=O)N2CCCC2)C1
InChIInChI=1S/C16H21N3O2/c20-15(18-13-6-2-1-3-7-13)12-10-14(17-11-12)16(21)19-8-4-5-9-19/h1-3,6-7,12,14,17H,4-5,8-11H2,(H,18,20)/t12-,14-/m0/s1
InChIKeyALOZALQLTPUKED-JSGCOSHPSA-N
MW287.36 g/mol
LogP1.23
Rot. Bonds3

About (3S,5S)-N-phenyl-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxamide

(3S,5S)-N-phenyl-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxamide (PubChem CID 23646020) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is (3S,5S)-N-phenyl-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,5S)-N-phenyl-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxamide
PubChem CID23646020
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name(3S,5S)-N-phenyl-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1)[C@@H]1CN[C@H](C(=O)N2CCCC2)C1
InChIInChI=1S/C16H21N3O2/c20-15(18-13-6-2-1-3-7-13)12-10-14(17-11-12)16(21)19-8-4-5-9-19/h1-3,6-7,12,14,17H,4-5,8-11H2,(H,18,20)/t12-,14-/m0/s1
InChIKeyALOZALQLTPUKED-JSGCOSHPSA-N
XLogP1.23
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-{[(2S,5R)-5-{[methyl(phenyl)amino]methyl}pyrrolidin-2-yl]carbonyl}pyrrolidine-2-carbonitrile
CID 11573204
(2S)-1-{[(2S,5R)-5-[(phenylamino)methyl]pyrrolidin-2-yl]carbonyl}pyrrolidine-2-carbonitrile
CID 11680960
(S)-1-[(2S,4S)-4-(4-Cyano-phenylamino)-pyrrolidine-2-carbonyl]-pyrrolidine-2-carbonitrile
CID 44400485
(S)-1-((2S,4S)-4-Phenylamino-pyrrolidine-2-carbonyl)-pyrrolidine-2-carbonitrile
CID 44400625
N-(4-acetamidophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 3156931
3-Anilino-1-phenylsuccinimide
CID 2792660
1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2883505
3-[2-(2-cyano-(S)-pyrrolidin-1-yl)-2-oxoethylamino]-N-phenylpropionamide
CID 11680991
(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-phenylpyrrolidine-2-carboxamide
CID 23646334
N-cyclopropyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 3127068
1-[2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperidine-3-carboxamide
CID 16327022
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 571916

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-N-phenyl-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S,5S)-N-phenyl-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxamide (CID 23646020) is (3S,5S)-N-phenyl-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,5S)-N-phenyl-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,5S)-N-phenyl-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxamide is O=C(Nc1ccccc1)[C@@H]1CN[C@H](C(=O)N2CCCC2)C1.
What is the InChIKey of (3S,5S)-N-phenyl-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxamide?
The InChIKey is ALOZALQLTPUKED-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H21N3O2/c20-15(18-13-6-2-1-3-7-13)12-10-14(17-11-12)16(21)19-8-4-5-9-19/h1-3,6-7,12,14,17H,4-5,8-11H2,(H,18,20)/t12-,14-/m0/s1.
What are the key properties of (3S,5S)-N-phenyl-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxamide?
(3S,5S)-N-phenyl-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-N-phenyl-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 23646020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).