(2S)-1-[phenyl(piperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid

C17H23N3O3 — CID 90268843

IUPAC(2S)-1-[phenyl(piperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)N(c1ccccc1)C1CCNCC1
InChIInChI=1S/C17H23N3O3/c21-16(22)15-7-4-12-19(15)17(23)20(13-5-2-1-3-6-13)14-8-10-18-11-9-14/h1-3,5-6,14-15,18H,4,7-12H2,(H,21,22)/t15-/m0/s1
InChIKeyBHSHLJJWCRTQEZ-HNNXBMFYSA-N
MW317.39 g/mol
LogP1.91
Rot. Bonds3

About (2S)-1-[phenyl(piperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid

(2S)-1-[phenyl(piperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 90268843) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is (2S)-1-[phenyl(piperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[phenyl(piperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID90268843
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name(2S)-1-[phenyl(piperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)N(c1ccccc1)C1CCNCC1
InChIInChI=1S/C17H23N3O3/c21-16(22)15-7-4-12-19(15)17(23)20(13-5-2-1-3-6-13)14-8-10-18-11-9-14/h1-3,5-6,14-15,18H,4,7-12H2,(H,21,22)/t15-/m0/s1
InChIKeyBHSHLJJWCRTQEZ-HNNXBMFYSA-N
XLogP1.91
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[phenyl(piperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid 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

1-[methyl(phenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61186495
(2S)-1-[piperidin-4-yl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61407896
oxalic acid;N-phenyl-N-piperidin-4-ylpropanamide
CID 117065158
(2S)-1-[ethyl(phenyl)carbamoyl]piperidine-2-carboxylic acid
CID 59546398
(2S)-1-[ethyl-(3-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 28510403
1-[benzyl(propan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61186053
1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]piperidine-2-carboxylic acid
CID 61158469
1-[2-[N-(9-azabicyclo[3.3.1]nonan-3-yl)anilino]acetyl]pyrrolidine-2-carboxylic acid
CID 144657561
1-[(3-methoxyphenyl)-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 62001735
(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidine-2-carboxylic acid
CID 10060528
1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61405416
(2R)-1-(2-piperazin-1-ylacetyl)pyrrolidine-2-carboxylic acid
CID 78922997

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[phenyl(piperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[phenyl(piperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 90268843) is (2S)-1-[phenyl(piperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[phenyl(piperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[phenyl(piperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1C(=O)N(c1ccccc1)C1CCNCC1.
What is the InChIKey of (2S)-1-[phenyl(piperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is BHSHLJJWCRTQEZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23N3O3/c21-16(22)15-7-4-12-19(15)17(23)20(13-5-2-1-3-6-13)14-8-10-18-11-9-14/h1-3,5-6,14-15,18H,4,7-12H2,(H,21,22)/t15-/m0/s1.
What are the key properties of (2S)-1-[phenyl(piperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[phenyl(piperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 317.39 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[phenyl(piperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 90268843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).