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(3S)-1-[(3-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-4-yl)piperidine-3-carboxamide

C17H21FN4O — CID 95275205

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(3S)-1-[(3-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-4-yl)piperidine-3-carboxamide
SMILESCc1[nH]ncc1NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1
InChIInChI=1S/C17H21FN4O/c1-12-16(9-19-21-12)20-17(23)14-5-3-7-22(11-14)10-13-4-2-6-15(18)8-13/h2,4,6,8-9,14H,3,5,7,10-11H2,1H3,(H,19,21)(H,20,23)/t14-/m0/s1
InChIKeyGBENNTDYDKBRLQ-AWEZNQCLSA-N
MW316.38 g/mol
LogP2.71
Rot. Bonds4

About (3S)-1-[(3-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-4-yl)piperidine-3-carboxamide

(3S)-1-[(3-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-4-yl)piperidine-3-carboxamide (PubChem CID 95275205) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is (3S)-1-[(3-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(3-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-4-yl)piperidine-3-carboxamide
PubChem CID95275205
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC Name(3S)-1-[(3-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-4-yl)piperidine-3-carboxamide
SMILESCc1[nH]ncc1NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1
InChIInChI=1S/C17H21FN4O/c1-12-16(9-19-21-12)20-17(23)14-5-3-7-22(11-14)10-13-4-2-6-15(18)8-13/h2,4,6,8-9,14H,3,5,7,10-11H2,1H3,(H,19,21)(H,20,23)/t14-/m0/s1
InChIKeyGBENNTDYDKBRLQ-AWEZNQCLSA-N
XLogP2.71
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(3-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-4-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(3-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-4-yl)piperidine-3-carboxamide (CID 95275205) is (3S)-1-[(3-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(3-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-4-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(3-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-4-yl)piperidine-3-carboxamide is Cc1[nH]ncc1NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1.
What is the InChIKey of (3S)-1-[(3-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-4-yl)piperidine-3-carboxamide?
The InChIKey is GBENNTDYDKBRLQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21FN4O/c1-12-16(9-19-21-12)20-17(23)14-5-3-7-22(11-14)10-13-4-2-6-15(18)8-13/h2,4,6,8-9,14H,3,5,7,10-11H2,1H3,(H,19,21)(H,20,23)/t14-/m0/s1.
What are the key properties of (3S)-1-[(3-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-4-yl)piperidine-3-carboxamide?
(3S)-1-[(3-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-4-yl)piperidine-3-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(3-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 95275205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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