(3R,4R)-1-(1-benzoylpiperidine-4-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid

C21H26N2O4 — CID 120979842

IUPAC(3R,4R)-1-(1-benzoylpiperidine-4-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)C2CCN(C(=O)c3ccccc3)CC2)C[C@@H]1C1CC1
InChIInChI=1S/C21H26N2O4/c24-19(15-4-2-1-3-5-15)22-10-8-16(9-11-22)20(25)23-12-17(14-6-7-14)18(13-23)21(26)27/h1-5,14,16-18H,6-13H2,(H,26,27)/t17-,18+/m1/s1
InChIKeyYUPKIHPZIUEVFV-MSOLQXFVSA-N
MW370.45 g/mol
LogP2.11
Rot. Bonds4

About (3R,4R)-1-(1-benzoylpiperidine-4-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid

(3R,4R)-1-(1-benzoylpiperidine-4-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid (PubChem CID 120979842) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is (3R,4R)-1-(1-benzoylpiperidine-4-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-1-(1-benzoylpiperidine-4-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid
PubChem CID120979842
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name(3R,4R)-1-(1-benzoylpiperidine-4-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)C2CCN(C(=O)c3ccccc3)CC2)C[C@@H]1C1CC1
InChIInChI=1S/C21H26N2O4/c24-19(15-4-2-1-3-5-15)22-10-8-16(9-11-22)20(25)23-12-17(14-6-7-14)18(13-23)21(26)27/h1-5,14,16-18H,6-13H2,(H,26,27)/t17-,18+/m1/s1
InChIKeyYUPKIHPZIUEVFV-MSOLQXFVSA-N
XLogP2.11
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R,4R)-1-(1-benzoylpiperidine-4-carbonyl)-4-cyclopropylpyrrolidine-3-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

(3R,4R)-4-cyclopropyl-1-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 120979845
(3R,4R)-1-(4-chlorobenzoyl)-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 120979899
(3R,4R)-1-(1-benzoyl-3-methylpiperidine-3-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 120979794
(3S)-1-benzoylpyrrolidine-3-carboxylic acid
CID 92614961
(1-benzoylpiperidin-4-yl)-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone
CID 136528149
(3S,4S)-4-cyclopropyl-1-[1-(2-hydroxyethyl)piperidine-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 86283051
(3S,4S)-4-cyclopropyl-1-(4-methylsulfonylbenzoyl)pyrrolidine-3-carboxylic acid
CID 72908820
(3S,4S)-4-cyclopropyl-1-(4-sulfamoylbenzoyl)pyrrolidine-3-carboxylic acid
CID 72917762
(3R,4R)-4-cyclopropyl-1-(9H-xanthene-9-carbonyl)pyrrolidine-3-carboxylic acid
CID 120979198
(3R,4R)-4-cyclopropyl-1-[4-[(2-methylpropan-2-yl)oxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 120979181
(3R,4R)-4-cyclopropyl-1-(3-ethylsulfonylbenzoyl)pyrrolidine-3-carboxylic acid
CID 120978301
(3R,4R)-4-cyclopropyl-1-[4-(cyclopropylmethoxy)benzoyl]pyrrolidine-3-carboxylic acid
CID 120979260

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(1-benzoylpiperidine-4-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-1-(1-benzoylpiperidine-4-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid (CID 120979842) is (3R,4R)-1-(1-benzoylpiperidine-4-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-1-(1-benzoylpiperidine-4-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-1-(1-benzoylpiperidine-4-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid is O=C(O)[C@H]1CN(C(=O)C2CCN(C(=O)c3ccccc3)CC2)C[C@@H]1C1CC1.
What is the InChIKey of (3R,4R)-1-(1-benzoylpiperidine-4-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid?
The InChIKey is YUPKIHPZIUEVFV-MSOLQXFVSA-N. The full InChI is InChI=1S/C21H26N2O4/c24-19(15-4-2-1-3-5-15)22-10-8-16(9-11-22)20(25)23-12-17(14-6-7-14)18(13-23)21(26)27/h1-5,14,16-18H,6-13H2,(H,26,27)/t17-,18+/m1/s1.
What are the key properties of (3R,4R)-1-(1-benzoylpiperidine-4-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid?
(3R,4R)-1-(1-benzoylpiperidine-4-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid has a molecular weight of 370.45 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(1-benzoylpiperidine-4-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 120979842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).