(3R)-3-propyl-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxylic acid

C20H27N3O2 — CID 97115296

IUPAC(3R)-3-propyl-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxylic acid
SMILESCCC[C@@]1(C(=O)O)CCCN(Cc2ccc(Cn3cccn3)cc2)C1
InChIInChI=1S/C20H27N3O2/c1-2-9-20(19(24)25)10-3-12-22(16-20)14-17-5-7-18(8-6-17)15-23-13-4-11-21-23/h4-8,11,13H,2-3,9-10,12,14-16H2,1H3,(H,24,25)/t20-/m1/s1
InChIKeyRGVJXGZNIPZTMU-HXUWFJFHSA-N
MW341.46 g/mol
LogP3.40
Rot. Bonds7

About (3R)-3-propyl-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxylic acid

(3R)-3-propyl-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxylic acid (PubChem CID 97115296) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is (3R)-3-propyl-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-propyl-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxylic acid
PubChem CID97115296
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name(3R)-3-propyl-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxylic acid
SMILESCCC[C@@]1(C(=O)O)CCCN(Cc2ccc(Cn3cccn3)cc2)C1
InChIInChI=1S/C20H27N3O2/c1-2-9-20(19(24)25)10-3-12-22(16-20)14-17-5-7-18(8-6-17)15-23-13-4-11-21-23/h4-8,11,13H,2-3,9-10,12,14-16H2,1H3,(H,24,25)/t20-/m1/s1
InChIKeyRGVJXGZNIPZTMU-HXUWFJFHSA-N
XLogP3.40
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-3-propyl-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-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

1-[(4-fluorophenyl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 63141029
1-(furan-3-ylmethyl)-3-propylpiperidine-3-carboxylic acid
CID 65068552
1-[(3,4-dihydroxyphenyl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 65068460
1-[(3-fluorophenyl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 63140936
1-[(4-chlorophenyl)methyl]-3-propylpyrrolidine-3-carboxylic acid
CID 55166742
1-[(3,4-dichlorophenyl)methyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63148676
3-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid
CID 72881029
1-[(5-bromo-3-pyridinyl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 104800382
(3R)-3-(3-phenylpropyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid
CID 95402837
1-[(5-methyl-2-pyridinyl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 81318757
1-[(2-methoxyphenyl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 63140979
1-[(2,4-dichlorophenyl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 63140602

Frequently Asked Questions

What is the IUPAC name of (3R)-3-propyl-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-3-propyl-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxylic acid (CID 97115296) is (3R)-3-propyl-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-3-propyl-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-3-propyl-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxylic acid is CCC[C@@]1(C(=O)O)CCCN(Cc2ccc(Cn3cccn3)cc2)C1.
What is the InChIKey of (3R)-3-propyl-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxylic acid?
The InChIKey is RGVJXGZNIPZTMU-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-2-9-20(19(24)25)10-3-12-22(16-20)14-17-5-7-18(8-6-17)15-23-13-4-11-21-23/h4-8,11,13H,2-3,9-10,12,14-16H2,1H3,(H,24,25)/t20-/m1/s1.
What are the key properties of (3R)-3-propyl-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxylic acid?
(3R)-3-propyl-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxylic acid has a molecular weight of 341.46 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-propyl-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 97115296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).