3-(hydroxymethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide

C13H22N4O2 — CID 110895928

IUPAC3-(hydroxymethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide
SMILESO=C(NCCCn1cccn1)N1CCCC(CO)C1
InChIInChI=1S/C13H22N4O2/c18-11-12-4-1-7-16(10-12)13(19)14-5-2-8-17-9-3-6-15-17/h3,6,9,12,18H,1-2,4-5,7-8,10-11H2,(H,14,19)
InChIKeyLHPOUDVURMEGFD-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.69
Rot. Bonds5

About 3-(hydroxymethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide

3-(hydroxymethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide (PubChem CID 110895928) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide
PubChem CID110895928
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name3-(hydroxymethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide
SMILESO=C(NCCCn1cccn1)N1CCCC(CO)C1
InChIInChI=1S/C13H22N4O2/c18-11-12-4-1-7-16(10-12)13(19)14-5-2-8-17-9-3-6-15-17/h3,6,9,12,18H,1-2,4-5,7-8,10-11H2,(H,14,19)
InChIKeyLHPOUDVURMEGFD-UHFFFAOYSA-N
XLogP0.69
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.69
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

(3S)-3-acetamido-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide
CID 95153240
(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
1-N-cyclopentyl-3-N-(3-pyrazol-1-ylpropyl)piperidine-1,3-dicarboxamide
CID 71984965
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
4-(oxolan-3-ylmethyl)-N-(3-pyrazol-1-ylpropyl)piperazine-1-carboxamide
CID 136512774
1-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)pyrrolidine-2-carboxamide
CID 47165617
3-(pyrazol-1-ylmethyl)piperidine-1-carboxylic acid
CID 135149499
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 62349582
N-[2-(4-ethylphenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111435204
4-(hydroxymethyl)-N-[3-(tetrazol-1-yl)propyl]piperidine-1-carboxamide
CID 166263013

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide (CID 110895928) is 3-(hydroxymethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide is O=C(NCCCn1cccn1)N1CCCC(CO)C1.
What is the InChIKey of 3-(hydroxymethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide?
The InChIKey is LHPOUDVURMEGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c18-11-12-4-1-7-16(10-12)13(19)14-5-2-8-17-9-3-6-15-17/h3,6,9,12,18H,1-2,4-5,7-8,10-11H2,(H,14,19).
What are the key properties of 3-(hydroxymethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide?
3-(hydroxymethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide is sourced from PubChem (CID 110895928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).