(3S)-3-acetamido-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide

C14H23N5O2 — CID 95153240

IUPAC(3S)-3-acetamido-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide
SMILESCC(=O)N[C@H]1CCCN(C(=O)NCCCn2cccn2)C1
InChIInChI=1S/C14H23N5O2/c1-12(20)17-13-5-2-8-18(11-13)14(21)15-6-3-9-19-10-4-7-16-19/h4,7,10,13H,2-3,5-6,8-9,11H2,1H3,(H,15,21)(H,17,20)/t13-/m0/s1
InChIKeyDONCXFFLOJJJQJ-ZDUSSCGKSA-N
MW293.37 g/mol
LogP0.58
Rot. Bonds5

About (3S)-3-acetamido-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide

(3S)-3-acetamido-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide (PubChem CID 95153240) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (3S)-3-acetamido-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-acetamido-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide
PubChem CID95153240
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name(3S)-3-acetamido-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide
SMILESCC(=O)N[C@H]1CCCN(C(=O)NCCCn2cccn2)C1
InChIInChI=1S/C14H23N5O2/c1-12(20)17-13-5-2-8-18(11-13)14(21)15-6-3-9-19-10-4-7-16-19/h4,7,10,13H,2-3,5-6,8-9,11H2,1H3,(H,15,21)(H,17,20)/t13-/m0/s1
InChIKeyDONCXFFLOJJJQJ-ZDUSSCGKSA-N
XLogP0.58
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(hydroxymethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide
CID 110895928
1-N-cyclopentyl-3-N-(3-pyrazol-1-ylpropyl)piperidine-1,3-dicarboxamide
CID 71984965
(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide
CID 97076083
1-(2-pyrazol-1-ylethylcarbamoyl)piperidine-3-carboxylic acid
CID 61461167
N-[(3R)-1-[(2S)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidin-3-yl]acetamide
CID 94174599
N',3-dimethyl-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboximidamide
CID 111143810
3-methyl-1-(3-pyrazol-1-ylpropylcarbamoyl)piperidine-2-carboxylic acid
CID 107071854
1-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)pyrrolidine-2-carboxamide
CID 47165617
2-(1-acetylpiperidin-3-yl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrrole-3-carboxamide
CID 91921610
(2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboxamide
CID 94060177
(2S)-2-(4-ethoxyphenyl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboxamide
CID 94030721
3-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-1-carboxamide
CID 53498427

Frequently Asked Questions

What is the IUPAC name of (3S)-3-acetamido-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide?
The IUPAC name of (3S)-3-acetamido-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide (CID 95153240) is (3S)-3-acetamido-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-acetamido-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-acetamido-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide is CC(=O)N[C@H]1CCCN(C(=O)NCCCn2cccn2)C1.
What is the InChIKey of (3S)-3-acetamido-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide?
The InChIKey is DONCXFFLOJJJQJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-12(20)17-13-5-2-8-18(11-13)14(21)15-6-3-9-19-10-4-7-16-19/h4,7,10,13H,2-3,5-6,8-9,11H2,1H3,(H,15,21)(H,17,20)/t13-/m0/s1.
What are the key properties of (3S)-3-acetamido-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide?
(3S)-3-acetamido-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-acetamido-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide is sourced from PubChem (CID 95153240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).