(2S)-N-cyclohexa-1,5-dien-1-ylpiperidine-2-carboxamide

C12H18N2O — CID 163602666

IUPAC(2S)-N-cyclohexa-1,5-dien-1-ylpiperidine-2-carboxamide
SMILESO=C(NC1=CCCC=C1)[C@@H]1CCCCN1
InChIInChI=1S/C12H18N2O/c15-12(11-8-4-5-9-13-11)14-10-6-2-1-3-7-10/h2,6-7,11,13H,1,3-5,8-9H2,(H,14,15)/t11-/m0/s1
InChIKeyGYZRUJIWTZMBGG-NSHDSACASA-N
MW206.29 g/mol
LogP1.48
Rot. Bonds2

About (2S)-N-cyclohexa-1,5-dien-1-ylpiperidine-2-carboxamide

(2S)-N-cyclohexa-1,5-dien-1-ylpiperidine-2-carboxamide (PubChem CID 163602666) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (2S)-N-cyclohexa-1,5-dien-1-ylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-cyclohexa-1,5-dien-1-ylpiperidine-2-carboxamide
PubChem CID163602666
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(2S)-N-cyclohexa-1,5-dien-1-ylpiperidine-2-carboxamide
SMILESO=C(NC1=CCCC=C1)[C@@H]1CCCCN1
InChIInChI=1S/C12H18N2O/c15-12(11-8-4-5-9-13-11)14-10-6-2-1-3-7-10/h2,6-7,11,13H,1,3-5,8-9H2,(H,14,15)/t11-/m0/s1
InChIKeyGYZRUJIWTZMBGG-NSHDSACASA-N
XLogP1.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-phenylpiperidine-2-carboxamide;hydrochloride
CID 68574355
(2R)-N-(2-hydroxyphenyl)piperidine-2-carboxamide
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N-[4-(propan-2-ylcarbamoylamino)phenyl]piperidine-2-carboxamide
CID 119279232
N-(5-methyl-1H-pyrazol-4-yl)piperidine-2-carboxamide
CID 110837895
(2S)-N-(3,4,5-trifluorophenyl)piperidine-2-carboxamide
CID 113266184
N-pyridin-4-ylazocane-2-carboxamide
CID 114240041
(2R)-N-(4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119670939
(2R)-N-pyridin-4-ylpiperidine-2-carboxamide;dihydrochloride
CID 119827101
(2S)-N-(4-bromophenyl)piperidine-2-carboxamide;hydrochloride
CID 119670350
N-thiophen-3-ylpiperidine-2-carboxamide
CID 66352407
(2R)-N-(3-chlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119671014
(2S)-N-(2H-tetrazol-5-yl)piperidine-2-carboxamide;hydrochloride
CID 130748103

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexa-1,5-dien-1-ylpiperidine-2-carboxamide?
The IUPAC name of (2S)-N-cyclohexa-1,5-dien-1-ylpiperidine-2-carboxamide (CID 163602666) is (2S)-N-cyclohexa-1,5-dien-1-ylpiperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-cyclohexa-1,5-dien-1-ylpiperidine-2-carboxamide?
The canonical SMILES for (2S)-N-cyclohexa-1,5-dien-1-ylpiperidine-2-carboxamide is O=C(NC1=CCCC=C1)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-N-cyclohexa-1,5-dien-1-ylpiperidine-2-carboxamide?
The InChIKey is GYZRUJIWTZMBGG-NSHDSACASA-N. The full InChI is InChI=1S/C12H18N2O/c15-12(11-8-4-5-9-13-11)14-10-6-2-1-3-7-10/h2,6-7,11,13H,1,3-5,8-9H2,(H,14,15)/t11-/m0/s1.
What are the key properties of (2S)-N-cyclohexa-1,5-dien-1-ylpiperidine-2-carboxamide?
(2S)-N-cyclohexa-1,5-dien-1-ylpiperidine-2-carboxamide has a molecular weight of 206.29 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclohexa-1,5-dien-1-ylpiperidine-2-carboxamide is sourced from PubChem (CID 163602666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).