(3S)-1-[(2S)-2-phenyl-2-pyrazol-1-ylacetyl]piperidine-3-carboxamide

C17H20N4O2 — CID 172675228

IUPAC(3S)-1-[(2S)-2-phenyl-2-pyrazol-1-ylacetyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(C(=O)[C@H](c2ccccc2)n2cccn2)C1
InChIInChI=1S/C17H20N4O2/c18-16(22)14-8-4-10-20(12-14)17(23)15(21-11-5-9-19-21)13-6-2-1-3-7-13/h1-3,5-7,9,11,14-15H,4,8,10,12H2,(H2,18,22)/t14-,15-/m0/s1
InChIKeyQFDXKCWZNOGADA-GJZGRUSLSA-N
MW312.37 g/mol
LogP1.20
Rot. Bonds4

About (3S)-1-[(2S)-2-phenyl-2-pyrazol-1-ylacetyl]piperidine-3-carboxamide

(3S)-1-[(2S)-2-phenyl-2-pyrazol-1-ylacetyl]piperidine-3-carboxamide (PubChem CID 172675228) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is (3S)-1-[(2S)-2-phenyl-2-pyrazol-1-ylacetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(2S)-2-phenyl-2-pyrazol-1-ylacetyl]piperidine-3-carboxamide
PubChem CID172675228
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name(3S)-1-[(2S)-2-phenyl-2-pyrazol-1-ylacetyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(C(=O)[C@H](c2ccccc2)n2cccn2)C1
InChIInChI=1S/C17H20N4O2/c18-16(22)14-8-4-10-20(12-14)17(23)15(21-11-5-9-19-21)13-6-2-1-3-7-13/h1-3,5-7,9,11,14-15H,4,8,10,12H2,(H2,18,22)/t14-,15-/m0/s1
InChIKeyQFDXKCWZNOGADA-GJZGRUSLSA-N
XLogP1.20
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2S)-2-phenyl-2-pyrazol-1-ylacetyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(2S)-2-phenyl-2-pyrazol-1-ylacetyl]piperidine-3-carboxamide (CID 172675228) is (3S)-1-[(2S)-2-phenyl-2-pyrazol-1-ylacetyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(2S)-2-phenyl-2-pyrazol-1-ylacetyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(2S)-2-phenyl-2-pyrazol-1-ylacetyl]piperidine-3-carboxamide is NC(=O)[C@H]1CCCN(C(=O)[C@H](c2ccccc2)n2cccn2)C1.
What is the InChIKey of (3S)-1-[(2S)-2-phenyl-2-pyrazol-1-ylacetyl]piperidine-3-carboxamide?
The InChIKey is QFDXKCWZNOGADA-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H20N4O2/c18-16(22)14-8-4-10-20(12-14)17(23)15(21-11-5-9-19-21)13-6-2-1-3-7-13/h1-3,5-7,9,11,14-15H,4,8,10,12H2,(H2,18,22)/t14-,15-/m0/s1.
What are the key properties of (3S)-1-[(2S)-2-phenyl-2-pyrazol-1-ylacetyl]piperidine-3-carboxamide?
(3S)-1-[(2S)-2-phenyl-2-pyrazol-1-ylacetyl]piperidine-3-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2S)-2-phenyl-2-pyrazol-1-ylacetyl]piperidine-3-carboxamide is sourced from PubChem (CID 172675228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).