N-[(2S)-butan-2-yl]-1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide

C17H30N2O — CID 7317771

IUPACN-[(2S)-butan-2-yl]-1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide
SMILESCC[C@H](C)NC(=O)C1CCN(C[C@@H]2CC=CCC2)CC1
InChIInChI=1S/C17H30N2O/c1-3-14(2)18-17(20)16-9-11-19(12-10-16)13-15-7-5-4-6-8-15/h4-5,14-16H,3,6-13H2,1-2H3,(H,18,20)/t14-,15+/m0/s1
InChIKeyQGBTZMJGDNJAFG-LSDHHAIUSA-N
MW278.44 g/mol
LogP2.97
Rot. Bonds5

About N-[(2S)-butan-2-yl]-1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide

N-[(2S)-butan-2-yl]-1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide (PubChem CID 7317771) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide
PubChem CID7317771
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-[(2S)-butan-2-yl]-1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide
SMILESCC[C@H](C)NC(=O)C1CCN(C[C@@H]2CC=CCC2)CC1
InChIInChI=1S/C17H30N2O/c1-3-14(2)18-17(20)16-9-11-19(12-10-16)13-15-7-5-4-6-8-15/h4-5,14-16H,3,6-13H2,1-2H3,(H,18,20)/t14-,15+/m0/s1
InChIKeyQGBTZMJGDNJAFG-LSDHHAIUSA-N
XLogP2.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2S)-butan-2-yl]-1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-isopropyl alpha-methylarachidonoyl amine
CID 5283418
AI 3-37220
CID 90567
1-Cyclohex-3-enylmethyl-piperidine-4-carboxylic acid diethylamide
CID 645987
1-[4-(Cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-3-methylbutan-1-one
CID 3145138
1'-(2,6-dimethylhept-5-en-1-yl)-N-isopropyl-1,4'-bipiperidine-4-carboxamide
CID 16191206
1'-(3-cyclohexen-1-ylmethyl)-N-isopropyl-1,4'-bipiperidine-4-carboxamide
CID 16192096
(4aS,8R,8aS)-N-butyl-2-cyclopropyl-1-oxo-3,4,4a,7,8,8a-hexahydroisoquinoline-8-carboxamide
CID 24747508
(4aS,8R,8aS)-N-butyl-2-cyclohexyl-1-oxo-3,4,4a,7,8,8a-hexahydroisoquinoline-8-carboxamide
CID 25011505
(4aS,8R,8aS)-N,2-dibutyl-1-oxo-3,4,4a,7,8,8a-hexahydroisoquinoline-8-carboxamide
CID 25011506
(4aS,8R,8aS)-2-butyl-N-cyclohexyl-1-oxo-3,4,4a,7,8,8a-hexahydroisoquinoline-8-carboxamide
CID 25011508
SS-220
CID 40579125
Cambridge id 6578844
CID 2903559

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-[(2S)-butan-2-yl]-1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide (CID 7317771) is N-[(2S)-butan-2-yl]-1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide is CC[C@H](C)NC(=O)C1CCN(C[C@@H]2CC=CCC2)CC1.
What is the InChIKey of N-[(2S)-butan-2-yl]-1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide?
The InChIKey is QGBTZMJGDNJAFG-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H30N2O/c1-3-14(2)18-17(20)16-9-11-19(12-10-16)13-15-7-5-4-6-8-15/h4-5,14-16H,3,6-13H2,1-2H3,(H,18,20)/t14-,15+/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide?
N-[(2S)-butan-2-yl]-1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide has a molecular weight of 278.44 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 7317771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).