(4S)-4-(4-pyrazol-1-ylpiperidin-1-yl)azepane-1-carboxylic acid

C15H24N4O2 — CID 90333637

IUPAC(4S)-4-(4-pyrazol-1-ylpiperidin-1-yl)azepane-1-carboxylic acid
SMILESO=C(O)N1CCC[C@H](N2CCC(n3cccn3)CC2)CC1
InChIInChI=1S/C15H24N4O2/c20-15(21)18-8-1-3-13(4-12-18)17-10-5-14(6-11-17)19-9-2-7-16-19/h2,7,9,13-14H,1,3-6,8,10-12H2,(H,20,21)/t13-/m0/s1
InChIKeyJYIOSIVFBZHVJY-ZDUSSCGKSA-N
MW292.38 g/mol
LogP2.05
Rot. Bonds2

About (4S)-4-(4-pyrazol-1-ylpiperidin-1-yl)azepane-1-carboxylic acid

(4S)-4-(4-pyrazol-1-ylpiperidin-1-yl)azepane-1-carboxylic acid (PubChem CID 90333637) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is (4S)-4-(4-pyrazol-1-ylpiperidin-1-yl)azepane-1-carboxylic acid.

Molecular Properties

Compound Name(4S)-4-(4-pyrazol-1-ylpiperidin-1-yl)azepane-1-carboxylic acid
PubChem CID90333637
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name(4S)-4-(4-pyrazol-1-ylpiperidin-1-yl)azepane-1-carboxylic acid
SMILESO=C(O)N1CCC[C@H](N2CCC(n3cccn3)CC2)CC1
InChIInChI=1S/C15H24N4O2/c20-15(21)18-8-1-3-13(4-12-18)17-10-5-14(6-11-17)19-9-2-7-16-19/h2,7,9,13-14H,1,3-6,8,10-12H2,(H,20,21)/t13-/m0/s1
InChIKeyJYIOSIVFBZHVJY-ZDUSSCGKSA-N
XLogP2.05
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-4-(4-pyrazol-1-ylpiperidin-1-yl)azepane-1-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-cyclopentylpyrazole
CID 10844435
4-[4-(1-methyl-2-oxo-3-pyridinyl)piperidin-1-yl]azepane-1-carboxylic acid
CID 90333662
phenyl 3-pyrazol-1-ylpiperidine-1-carboxylate
CID 110472446
1-(1-cyclobutylazetidin-3-yl)pyrazole
CID 131134144
(1-methylsulfonylcyclopentyl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95283281
2-phenoxy-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone
CID 110871172
(4-aminophenyl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone
CID 110474500
[(1R)-cyclohex-3-en-1-yl]-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95159169
4-(4-methylsulfonylpiperazin-1-yl)piperidine-1-carboxylic acid
CID 71147624
6-amino-1-(4-pyrazol-1-ylpiperidin-1-yl)hexan-1-one
CID 110482610
(1-methylpyrrol-2-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone
CID 110467043
4-pyrrol-1-ylpiperidine-1-carboxylic acid
CID 118110284

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-pyrazol-1-ylpiperidin-1-yl)azepane-1-carboxylic acid?
The IUPAC name of (4S)-4-(4-pyrazol-1-ylpiperidin-1-yl)azepane-1-carboxylic acid (CID 90333637) is (4S)-4-(4-pyrazol-1-ylpiperidin-1-yl)azepane-1-carboxylic acid.
What is the SMILES notation for (4S)-4-(4-pyrazol-1-ylpiperidin-1-yl)azepane-1-carboxylic acid?
The canonical SMILES for (4S)-4-(4-pyrazol-1-ylpiperidin-1-yl)azepane-1-carboxylic acid is O=C(O)N1CCC[C@H](N2CCC(n3cccn3)CC2)CC1.
What is the InChIKey of (4S)-4-(4-pyrazol-1-ylpiperidin-1-yl)azepane-1-carboxylic acid?
The InChIKey is JYIOSIVFBZHVJY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N4O2/c20-15(21)18-8-1-3-13(4-12-18)17-10-5-14(6-11-17)19-9-2-7-16-19/h2,7,9,13-14H,1,3-6,8,10-12H2,(H,20,21)/t13-/m0/s1.
What are the key properties of (4S)-4-(4-pyrazol-1-ylpiperidin-1-yl)azepane-1-carboxylic acid?
(4S)-4-(4-pyrazol-1-ylpiperidin-1-yl)azepane-1-carboxylic acid has a molecular weight of 292.38 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-pyrazol-1-ylpiperidin-1-yl)azepane-1-carboxylic acid is sourced from PubChem (CID 90333637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).