4-(3-pyrazol-1-ylpropylamino)piperidine-1-carboxamide

C12H21N5O — CID 112698622

IUPAC4-(3-pyrazol-1-ylpropylamino)piperidine-1-carboxamide
SMILESNC(=O)N1CCC(NCCCn2cccn2)CC1
InChIInChI=1S/C12H21N5O/c13-12(18)16-9-3-11(4-10-16)14-5-1-7-17-8-2-6-15-17/h2,6,8,11,14H,1,3-5,7,9-10H2,(H2,13,18)
InChIKeyKTRNGTKPCUGQGM-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.41
Rot. Bonds5

About 4-(3-pyrazol-1-ylpropylamino)piperidine-1-carboxamide

4-(3-pyrazol-1-ylpropylamino)piperidine-1-carboxamide (PubChem CID 112698622) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-(3-pyrazol-1-ylpropylamino)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3-pyrazol-1-ylpropylamino)piperidine-1-carboxamide
PubChem CID112698622
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name4-(3-pyrazol-1-ylpropylamino)piperidine-1-carboxamide
SMILESNC(=O)N1CCC(NCCCn2cccn2)CC1
InChIInChI=1S/C12H21N5O/c13-12(18)16-9-3-11(4-10-16)14-5-1-7-17-8-2-6-15-17/h2,6,8,11,14H,1,3-5,7,9-10H2,(H2,13,18)
InChIKeyKTRNGTKPCUGQGM-UHFFFAOYSA-N
XLogP0.41
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.41
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

4-[3-(triazol-1-yl)propylamino]piperidine-1-carboxamide
CID 113412516
4-methyl-N-(3-pyrazol-1-ylpropyl)cyclohexan-1-amine
CID 115651935
1-ethyl-N-(3-pyrazol-1-ylpropyl)azepan-4-amine
CID 113412467
2-(cyclopropylamino)-N-(3-pyrazol-1-ylpropyl)acetamide
CID 115761179
4-(hexylamino)piperidine-1-carboxamide
CID 43769692
N-[3-(cyclopropylamino)propyl]-3-pyrazol-1-ylpropanamide
CID 43596290
4-(5-hydroxypentylamino)piperidine-1-carboxamide
CID 107302971
2-(3-pyrazol-1-ylpropylamino)cyclobutane-1-carboxylic acid
CID 103263462
4-[3-(diethylamino)propylamino]piperidine-1-carboxamide
CID 43763196
3-cyclopropyl-N-(3-pyrazol-1-ylpropyl)cyclohexan-1-amine
CID 115708654
2-cyclopentyl-N-[3-[4-(3-pyrazol-1-ylpropylamino)piperidin-1-yl]phenyl]acetamide
CID 42165920
N-(3-pyrazol-1-ylpropyl)cyclohex-2-en-1-amine
CID 107907905

Frequently Asked Questions

What is the IUPAC name of 4-(3-pyrazol-1-ylpropylamino)piperidine-1-carboxamide?
The IUPAC name of 4-(3-pyrazol-1-ylpropylamino)piperidine-1-carboxamide (CID 112698622) is 4-(3-pyrazol-1-ylpropylamino)piperidine-1-carboxamide.
What is the SMILES notation for 4-(3-pyrazol-1-ylpropylamino)piperidine-1-carboxamide?
The canonical SMILES for 4-(3-pyrazol-1-ylpropylamino)piperidine-1-carboxamide is NC(=O)N1CCC(NCCCn2cccn2)CC1.
What is the InChIKey of 4-(3-pyrazol-1-ylpropylamino)piperidine-1-carboxamide?
The InChIKey is KTRNGTKPCUGQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c13-12(18)16-9-3-11(4-10-16)14-5-1-7-17-8-2-6-15-17/h2,6,8,11,14H,1,3-5,7,9-10H2,(H2,13,18).
What are the key properties of 4-(3-pyrazol-1-ylpropylamino)piperidine-1-carboxamide?
4-(3-pyrazol-1-ylpropylamino)piperidine-1-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pyrazol-1-ylpropylamino)piperidine-1-carboxamide is sourced from PubChem (CID 112698622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).