1-[(1R)-cyclohex-3-ene-1-carbonyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide

C26H30N2O2 — CID 25493262

IUPAC1-[(1R)-cyclohex-3-ene-1-carbonyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide
SMILESCc1cccc(-c2ccc(NC(=O)C3CCN(C(=O)[C@H]4CC=CCC4)CC3)cc2)c1
InChIInChI=1S/C26H30N2O2/c1-19-6-5-9-23(18-19)20-10-12-24(13-11-20)27-25(29)21-14-16-28(17-15-21)26(30)22-7-3-2-4-8-22/h2-3,5-6,9-13,18,21-22H,4,7-8,14-17H2,1H3,(H,27,29)/t22-/m0/s1
InChIKeyIZBQOIQHGDEYIP-QFIPXVFZSA-N
MW402.54 g/mol
LogP5.20
Rot. Bonds4

About 1-[(1R)-cyclohex-3-ene-1-carbonyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide

1-[(1R)-cyclohex-3-ene-1-carbonyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide (PubChem CID 25493262) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is 1-[(1R)-cyclohex-3-ene-1-carbonyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1R)-cyclohex-3-ene-1-carbonyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide
PubChem CID25493262
Molecular FormulaC26H30N2O2
Molecular Weight402.54 g/mol
Exact Mass402.23
IUPAC Name1-[(1R)-cyclohex-3-ene-1-carbonyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide
SMILESCc1cccc(-c2ccc(NC(=O)C3CCN(C(=O)[C@H]4CC=CCC4)CC3)cc2)c1
InChIInChI=1S/C26H30N2O2/c1-19-6-5-9-23(18-19)20-10-12-24(13-11-20)27-25(29)21-14-16-28(17-15-21)26(30)22-7-3-2-4-8-22/h2-3,5-6,9-13,18,21-22H,4,7-8,14-17H2,1H3,(H,27,29)/t22-/m0/s1
InChIKeyIZBQOIQHGDEYIP-QFIPXVFZSA-N
XLogP5.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-methylphenyl)phenyl]-1-[(2R)-spiro[2.3]hexane-2-carbonyl]piperidine-4-carboxamide
CID 42394081
1-(cyclopropanecarbonyl)-N-(4-phenylphenyl)piperidine-4-carboxamide
CID 51155668
N-[4-(3-methylphenyl)phenyl]-1-(1,3-oxazole-5-carbonyl)piperidine-4-carboxamide
CID 72919256
1-[(2-ethylpyrimidin-5-yl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide
CID 26399704
(3R)-3-N-ethyl-1-N-[4-(3-methylphenyl)phenyl]pyrrolidine-1,3-dicarboxamide
CID 125178178
[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone
CID 94797927
N-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]cyclohex-3-ene-1-carboxamide
CID 171577227
N-[4-(3-methylphenyl)phenyl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 25289485
[(1R)-cyclohex-3-en-1-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 51970274
1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 3222755
N-(4-acetamidophenyl)cyclohex-3-ene-1-carboxamide
CID 17394995
(1R)-N-(3,4-dimethylphenyl)cyclohex-3-ene-1-carboxamide
CID 8743787

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-cyclohex-3-ene-1-carbonyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(1R)-cyclohex-3-ene-1-carbonyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide (CID 25493262) is 1-[(1R)-cyclohex-3-ene-1-carbonyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(1R)-cyclohex-3-ene-1-carbonyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(1R)-cyclohex-3-ene-1-carbonyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide is Cc1cccc(-c2ccc(NC(=O)C3CCN(C(=O)[C@H]4CC=CCC4)CC3)cc2)c1.
What is the InChIKey of 1-[(1R)-cyclohex-3-ene-1-carbonyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide?
The InChIKey is IZBQOIQHGDEYIP-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H30N2O2/c1-19-6-5-9-23(18-19)20-10-12-24(13-11-20)27-25(29)21-14-16-28(17-15-21)26(30)22-7-3-2-4-8-22/h2-3,5-6,9-13,18,21-22H,4,7-8,14-17H2,1H3,(H,27,29)/t22-/m0/s1.
What are the key properties of 1-[(1R)-cyclohex-3-ene-1-carbonyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide?
1-[(1R)-cyclohex-3-ene-1-carbonyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide has a molecular weight of 402.54 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-cyclohex-3-ene-1-carbonyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 25493262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).