1-(5-ethyl-1H-pyrazole-3-carbonyl)-N-pentylpiperidine-4-carboxamide

C17H28N4O2 — CID 78875827

IUPAC1-(5-ethyl-1H-pyrazole-3-carbonyl)-N-pentylpiperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(C(=O)c2cc(CC)[nH]n2)CC1
InChIInChI=1S/C17H28N4O2/c1-3-5-6-9-18-16(22)13-7-10-21(11-8-13)17(23)15-12-14(4-2)19-20-15/h12-13H,3-11H2,1-2H3,(H,18,22)(H,19,20)
InChIKeyVVJTXAKQENJWAG-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.13
Rot. Bonds7

About 1-(5-ethyl-1H-pyrazole-3-carbonyl)-N-pentylpiperidine-4-carboxamide

1-(5-ethyl-1H-pyrazole-3-carbonyl)-N-pentylpiperidine-4-carboxamide (PubChem CID 78875827) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-(5-ethyl-1H-pyrazole-3-carbonyl)-N-pentylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-ethyl-1H-pyrazole-3-carbonyl)-N-pentylpiperidine-4-carboxamide
PubChem CID78875827
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name1-(5-ethyl-1H-pyrazole-3-carbonyl)-N-pentylpiperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(C(=O)c2cc(CC)[nH]n2)CC1
InChIInChI=1S/C17H28N4O2/c1-3-5-6-9-18-16(22)13-7-10-21(11-8-13)17(23)15-12-14(4-2)19-20-15/h12-13H,3-11H2,1-2H3,(H,18,22)(H,19,20)
InChIKeyVVJTXAKQENJWAG-UHFFFAOYSA-N
XLogP2.13
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(dimethylamino)piperidin-1-yl]-(5-ethyl-1H-pyrazol-3-yl)methanone
CID 78873940
1-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)-N-pentylpiperidine-4-carboxamide
CID 56567520
1-[4-(5-ethyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 78861980
1-[4-(aminomethyl)benzoyl]-N-pentylpiperidine-4-carboxamide
CID 119287815
1-(4-methoxybenzoyl)-N-pentylpiperidine-4-carboxamide
CID 113005591
N-butyl-1-(1-phenyltriazole-4-carbonyl)piperidine-4-carboxamide
CID 86829243
N-[(4-fluorophenyl)methyl]-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]piperidine-4-carboxamide
CID 87046269
N-ethyl-1-(2H-triazole-4-carbonyl)piperidine-4-carboxamide
CID 112733334
(3S)-1-(5-ethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 119173853
N-pentyl-1-(2,3,4-trifluorobenzoyl)piperidine-4-carboxamide
CID 113005611
1-(2-aminobenzoyl)-N-pentylpiperidine-4-carboxamide;hydrochloride
CID 119944482
1-(cyclobutanecarbonyl)-N-pentylpiperidine-4-carboxamide
CID 113005621

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1H-pyrazole-3-carbonyl)-N-pentylpiperidine-4-carboxamide?
The IUPAC name of 1-(5-ethyl-1H-pyrazole-3-carbonyl)-N-pentylpiperidine-4-carboxamide (CID 78875827) is 1-(5-ethyl-1H-pyrazole-3-carbonyl)-N-pentylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(5-ethyl-1H-pyrazole-3-carbonyl)-N-pentylpiperidine-4-carboxamide?
The canonical SMILES for 1-(5-ethyl-1H-pyrazole-3-carbonyl)-N-pentylpiperidine-4-carboxamide is CCCCCNC(=O)C1CCN(C(=O)c2cc(CC)[nH]n2)CC1.
What is the InChIKey of 1-(5-ethyl-1H-pyrazole-3-carbonyl)-N-pentylpiperidine-4-carboxamide?
The InChIKey is VVJTXAKQENJWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-3-5-6-9-18-16(22)13-7-10-21(11-8-13)17(23)15-12-14(4-2)19-20-15/h12-13H,3-11H2,1-2H3,(H,18,22)(H,19,20).
What are the key properties of 1-(5-ethyl-1H-pyrazole-3-carbonyl)-N-pentylpiperidine-4-carboxamide?
1-(5-ethyl-1H-pyrazole-3-carbonyl)-N-pentylpiperidine-4-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1H-pyrazole-3-carbonyl)-N-pentylpiperidine-4-carboxamide is sourced from PubChem (CID 78875827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).