4-propyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide

C13H22N4O — CID 63129181

IUPAC4-propyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide
SMILESCCCC1(C(=O)NCc2ccn[nH]2)CCNCC1
InChIInChI=1S/C13H22N4O/c1-2-4-13(5-8-14-9-6-13)12(18)15-10-11-3-7-16-17-11/h3,7,14H,2,4-6,8-10H2,1H3,(H,15,18)(H,16,17)
InChIKeyYZSYIIIHMXIMBG-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.20
Rot. Bonds5

About 4-propyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide

4-propyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide (PubChem CID 63129181) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-propyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-propyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide
PubChem CID63129181
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-propyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide
SMILESCCCC1(C(=O)NCc2ccn[nH]2)CCNCC1
InChIInChI=1S/C13H22N4O/c1-2-4-13(5-8-14-9-6-13)12(18)15-10-11-3-7-16-17-11/h3,7,14H,2,4-6,8-10H2,1H3,(H,15,18)(H,16,17)
InChIKeyYZSYIIIHMXIMBG-UHFFFAOYSA-N
XLogP1.20
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-4-propylpiperidine-4-carboxamide
CID 63127194
1-(methoxymethyl)-N-(1H-pyrazol-5-ylmethyl)cyclobutane-1-carboxamide
CID 122564924
N-[(3-ethyl-2-pyridinyl)methyl]-4-propylpiperidine-4-carboxamide
CID 82736217
N-[(6-methyl-3-pyridinyl)methyl]-4-propylpiperidine-4-carboxamide
CID 63129561
N-[(3-methylphenyl)methyl]-4-propylpiperidine-4-carboxamide
CID 63128555
N-[(3-chlorophenyl)methyl]-4-propylpiperidine-4-carboxamide
CID 63127551
N-[(3-fluorophenyl)methyl]-4-propylpiperidine-4-carboxamide
CID 63127726
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-propylpiperidine-4-carboxamide
CID 63280956
N-(cyanomethyl)-4-propylpiperidine-4-carboxamide
CID 63129150
N-(2-aminoethyl)-4-propylpiperidine-4-carboxamide
CID 63128598
1-(4-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclopropane-1-carboxamide
CID 60976922
3-propyl-N-(pyridazin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 106896186

Frequently Asked Questions

What is the IUPAC name of 4-propyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 4-propyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide (CID 63129181) is 4-propyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-propyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 4-propyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide is CCCC1(C(=O)NCc2ccn[nH]2)CCNCC1.
What is the InChIKey of 4-propyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide?
The InChIKey is YZSYIIIHMXIMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-2-4-13(5-8-14-9-6-13)12(18)15-10-11-3-7-16-17-11/h3,7,14H,2,4-6,8-10H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 4-propyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide?
4-propyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 63129181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).