N-(3-phenylpropyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide

C19H26N4O — CID 90495373

IUPACN-(3-phenylpropyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NCCCc1ccccc1)N1CCC(Cn2cccn2)CC1
InChIInChI=1S/C19H26N4O/c24-19(20-11-4-8-17-6-2-1-3-7-17)22-14-9-18(10-15-22)16-23-13-5-12-21-23/h1-3,5-7,12-13,18H,4,8-11,14-16H2,(H,20,24)
InChIKeyJLJVYHDVUQUFGW-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.94
Rot. Bonds6

About N-(3-phenylpropyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide

N-(3-phenylpropyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide (PubChem CID 90495373) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-(3-phenylpropyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
PubChem CID90495373
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-(3-phenylpropyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NCCCc1ccccc1)N1CCC(Cn2cccn2)CC1
InChIInChI=1S/C19H26N4O/c24-19(20-11-4-8-17-6-2-1-3-7-17)22-14-9-18(10-15-22)16-23-13-5-12-21-23/h1-3,5-7,12-13,18H,4,8-11,14-16H2,(H,20,24)
InChIKeyJLJVYHDVUQUFGW-UHFFFAOYSA-N
XLogP2.94
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 71781180
4-(imidazol-1-ylmethyl)-N-(3-phenylpropyl)piperidine-1-carboxamide
CID 90493869
4-(hydroxymethyl)-N-(4-phenylbutyl)piperidine-1-carboxamide
CID 118398509
4-[(2-methylimidazol-1-yl)methyl]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 71781142
1-(3-phenylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63032265
3-(hydroxymethyl)-N-(3-phenylpropyl)azetidine-1-carboxamide
CID 121105872
N-(3-phenylpropyl)pyrazole-1-carboxamide
CID 118526757
1-(5-phenylpentylcarbamoyl)piperidine-4-carboxylic acid
CID 122000468
N-(3,4-dimethylphenyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 90495360
1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 52906688
4-formyl-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 108988593
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 124569727

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-(3-phenylpropyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide (CID 90495373) is N-(3-phenylpropyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(3-phenylpropyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(3-phenylpropyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide is O=C(NCCCc1ccccc1)N1CCC(Cn2cccn2)CC1.
What is the InChIKey of N-(3-phenylpropyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide?
The InChIKey is JLJVYHDVUQUFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c24-19(20-11-4-8-17-6-2-1-3-7-17)22-14-9-18(10-15-22)16-23-13-5-12-21-23/h1-3,5-7,12-13,18H,4,8-11,14-16H2,(H,20,24).
What are the key properties of N-(3-phenylpropyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide?
N-(3-phenylpropyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 90495373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).