(3S)-1-[(2S)-2-(1H-pyrazol-5-yl)propanoyl]piperidine-3-carboxamide

C12H18N4O2 — CID 172908573

IUPAC(3S)-1-[(2S)-2-(1H-pyrazol-5-yl)propanoyl]piperidine-3-carboxamide
SMILESC[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)c1ccn[nH]1
InChIInChI=1S/C12H18N4O2/c1-8(10-4-5-14-15-10)12(18)16-6-2-3-9(7-16)11(13)17/h4-5,8-9H,2-3,6-7H2,1H3,(H2,13,17)(H,14,15)/t8-,9-/m0/s1
InChIKeyRXLSVIOBXFEABB-IUCAKERBSA-N
MW250.30 g/mol
LogP0.24
Rot. Bonds3

About (3S)-1-[(2S)-2-(1H-pyrazol-5-yl)propanoyl]piperidine-3-carboxamide

(3S)-1-[(2S)-2-(1H-pyrazol-5-yl)propanoyl]piperidine-3-carboxamide (PubChem CID 172908573) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is (3S)-1-[(2S)-2-(1H-pyrazol-5-yl)propanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(2S)-2-(1H-pyrazol-5-yl)propanoyl]piperidine-3-carboxamide
PubChem CID172908573
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name(3S)-1-[(2S)-2-(1H-pyrazol-5-yl)propanoyl]piperidine-3-carboxamide
SMILESC[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)c1ccn[nH]1
InChIInChI=1S/C12H18N4O2/c1-8(10-4-5-14-15-10)12(18)16-6-2-3-9(7-16)11(13)17/h4-5,8-9H,2-3,6-7H2,1H3,(H2,13,17)(H,14,15)/t8-,9-/m0/s1
InChIKeyRXLSVIOBXFEABB-IUCAKERBSA-N
XLogP0.24
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-1-[(2S)-2-(1H-pyrazol-5-yl)propanoyl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2S)-2-(1H-pyrazol-5-yl)propanoyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(2S)-2-(1H-pyrazol-5-yl)propanoyl]piperidine-3-carboxamide (CID 172908573) is (3S)-1-[(2S)-2-(1H-pyrazol-5-yl)propanoyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(2S)-2-(1H-pyrazol-5-yl)propanoyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(2S)-2-(1H-pyrazol-5-yl)propanoyl]piperidine-3-carboxamide is C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)c1ccn[nH]1.
What is the InChIKey of (3S)-1-[(2S)-2-(1H-pyrazol-5-yl)propanoyl]piperidine-3-carboxamide?
The InChIKey is RXLSVIOBXFEABB-IUCAKERBSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8(10-4-5-14-15-10)12(18)16-6-2-3-9(7-16)11(13)17/h4-5,8-9H,2-3,6-7H2,1H3,(H2,13,17)(H,14,15)/t8-,9-/m0/s1.
What are the key properties of (3S)-1-[(2S)-2-(1H-pyrazol-5-yl)propanoyl]piperidine-3-carboxamide?
(3S)-1-[(2S)-2-(1H-pyrazol-5-yl)propanoyl]piperidine-3-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2S)-2-(1H-pyrazol-5-yl)propanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 172908573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).