(2S)-4-phenylpiperidine-2-carboxamide

C12H16N2O — CID 129163808

IUPAC(2S)-4-phenylpiperidine-2-carboxamide
SMILESNC(=O)[C@@H]1CC(c2ccccc2)CCN1
InChIInChI=1S/C12H16N2O/c13-12(15)11-8-10(6-7-14-11)9-4-2-1-3-5-9/h1-5,10-11,14H,6-8H2,(H2,13,15)/t10?,11-/m0/s1
InChIKeyPESAOBHAJZUYBE-DTIOYNMSSA-N
MW204.27 g/mol
LogP1.01
Rot. Bonds2

About (2S)-4-phenylpiperidine-2-carboxamide

(2S)-4-phenylpiperidine-2-carboxamide (PubChem CID 129163808) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (2S)-4-phenylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-phenylpiperidine-2-carboxamide
PubChem CID129163808
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(2S)-4-phenylpiperidine-2-carboxamide
SMILESNC(=O)[C@@H]1CC(c2ccccc2)CCN1
InChIInChI=1S/C12H16N2O/c13-12(15)11-8-10(6-7-14-11)9-4-2-1-3-5-9/h1-5,10-11,14H,6-8H2,(H2,13,15)/t10?,11-/m0/s1
InChIKeyPESAOBHAJZUYBE-DTIOYNMSSA-N
XLogP1.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-phenylpiperidine-2-carboxamide?
The IUPAC name of (2S)-4-phenylpiperidine-2-carboxamide (CID 129163808) is (2S)-4-phenylpiperidine-2-carboxamide.
What is the SMILES notation for (2S)-4-phenylpiperidine-2-carboxamide?
The canonical SMILES for (2S)-4-phenylpiperidine-2-carboxamide is NC(=O)[C@@H]1CC(c2ccccc2)CCN1.
What is the InChIKey of (2S)-4-phenylpiperidine-2-carboxamide?
The InChIKey is PESAOBHAJZUYBE-DTIOYNMSSA-N. The full InChI is InChI=1S/C12H16N2O/c13-12(15)11-8-10(6-7-14-11)9-4-2-1-3-5-9/h1-5,10-11,14H,6-8H2,(H2,13,15)/t10?,11-/m0/s1.
What are the key properties of (2S)-4-phenylpiperidine-2-carboxamide?
(2S)-4-phenylpiperidine-2-carboxamide has a molecular weight of 204.27 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-phenylpiperidine-2-carboxamide is sourced from PubChem (CID 129163808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).