(2S)-N-(1-prop-2-enylpiperidin-4-yl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide

C17H27N5O — CID 99821034

IUPAC(2S)-N-(1-prop-2-enylpiperidin-4-yl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
SMILESC=CCN1CCC(NC(=O)N2CCCC[C@H]2c2cn[nH]c2)CC1
InChIInChI=1S/C17H27N5O/c1-2-8-21-10-6-15(7-11-21)20-17(23)22-9-4-3-5-16(22)14-12-18-19-13-14/h2,12-13,15-16H,1,3-11H2,(H,18,19)(H,20,23)/t16-/m0/s1
InChIKeyGNJLEKYXDGUBKY-INIZCTEOSA-N
MW317.44 g/mol
LogP2.30
Rot. Bonds4

About (2S)-N-(1-prop-2-enylpiperidin-4-yl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide

(2S)-N-(1-prop-2-enylpiperidin-4-yl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide (PubChem CID 99821034) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is (2S)-N-(1-prop-2-enylpiperidin-4-yl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(1-prop-2-enylpiperidin-4-yl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
PubChem CID99821034
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name(2S)-N-(1-prop-2-enylpiperidin-4-yl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
SMILESC=CCN1CCC(NC(=O)N2CCCC[C@H]2c2cn[nH]c2)CC1
InChIInChI=1S/C17H27N5O/c1-2-8-21-10-6-15(7-11-21)20-17(23)22-9-4-3-5-16(22)14-12-18-19-13-14/h2,12-13,15-16H,1,3-11H2,(H,18,19)(H,20,23)/t16-/m0/s1
InChIKeyGNJLEKYXDGUBKY-INIZCTEOSA-N
XLogP2.30
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2S)-N-(1-prop-2-enylpiperidin-4-yl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide 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

(2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 97252299
(2S)-N-[(1R,3R)-3-ethylsulfanylcyclopentyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 129446287
(2S)-N-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 129425227
3-amino-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-1-one
CID 119888402
N-[3-(2-methylpropanoylamino)propyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 75499708
(2R)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 99777080
(2R)-2-(1H-pyrazol-4-yl)-N-(pyridazin-3-ylmethyl)piperidine-1-carboxamide
CID 124721747
N-(5-propyl-1,3,4-thiadiazol-2-yl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 86789916
(2S)-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 99852507
(2R)-N-(3-phenylprop-2-ynyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 98573367
N-(3-phenylprop-2-ynyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 84597437
N-[3-(propanoylamino)phenyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 75521565

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-prop-2-enylpiperidin-4-yl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The IUPAC name of (2S)-N-(1-prop-2-enylpiperidin-4-yl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide (CID 99821034) is (2S)-N-(1-prop-2-enylpiperidin-4-yl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(1-prop-2-enylpiperidin-4-yl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The canonical SMILES for (2S)-N-(1-prop-2-enylpiperidin-4-yl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide is C=CCN1CCC(NC(=O)N2CCCC[C@H]2c2cn[nH]c2)CC1.
What is the InChIKey of (2S)-N-(1-prop-2-enylpiperidin-4-yl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The InChIKey is GNJLEKYXDGUBKY-INIZCTEOSA-N. The full InChI is InChI=1S/C17H27N5O/c1-2-8-21-10-6-15(7-11-21)20-17(23)22-9-4-3-5-16(22)14-12-18-19-13-14/h2,12-13,15-16H,1,3-11H2,(H,18,19)(H,20,23)/t16-/m0/s1.
What are the key properties of (2S)-N-(1-prop-2-enylpiperidin-4-yl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
(2S)-N-(1-prop-2-enylpiperidin-4-yl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide has a molecular weight of 317.44 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-prop-2-enylpiperidin-4-yl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 99821034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).