(3R)-1-[(1R)-cyclohex-3-ene-1-carbonyl]-N-ethyl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide

C27H33N3O2 — CID 92591895

IUPAC(3R)-1-[(1R)-cyclohex-3-ene-1-carbonyl]-N-ethyl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCCNC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCCN(C(=O)[C@H]2CC=CCC2)C1
InChIInChI=1S/C27H33N3O2/c1-2-29-26(32)27(14-7-17-30(20-27)25(31)23-9-4-3-5-10-23)19-21-8-6-11-24(18-21)22-12-15-28-16-13-22/h3-4,6,8,11-13,15-16,18,23H,2,5,7,9-10,14,17,19-20H2,1H3,(H,29,32)/t23-,27+/m0/s1
InChIKeyJUUDVJFTXPZAAB-WNCULLNHSA-N
MW431.58 g/mol
LogP4.39
Rot. Bonds6

About (3R)-1-[(1R)-cyclohex-3-ene-1-carbonyl]-N-ethyl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide

(3R)-1-[(1R)-cyclohex-3-ene-1-carbonyl]-N-ethyl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 92591895) has the molecular formula C27H33N3O2 and a molecular weight of 431.58 g/mol. Its IUPAC name is (3R)-1-[(1R)-cyclohex-3-ene-1-carbonyl]-N-ethyl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(1R)-cyclohex-3-ene-1-carbonyl]-N-ethyl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
PubChem CID92591895
Molecular FormulaC27H33N3O2
Molecular Weight431.58 g/mol
Exact Mass431.26
IUPAC Name(3R)-1-[(1R)-cyclohex-3-ene-1-carbonyl]-N-ethyl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCCNC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCCN(C(=O)[C@H]2CC=CCC2)C1
InChIInChI=1S/C27H33N3O2/c1-2-29-26(32)27(14-7-17-30(20-27)25(31)23-9-4-3-5-10-23)19-21-8-6-11-24(18-21)22-12-15-28-16-13-22/h3-4,6,8,11-13,15-16,18,23H,2,5,7,9-10,14,17,19-20H2,1H3,(H,29,32)/t23-,27+/m0/s1
InChIKeyJUUDVJFTXPZAAB-WNCULLNHSA-N
XLogP4.39
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R)-1-[(1R)-cyclohex-3-ene-1-carbonyl]-N-ethyl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3S)-1-(cyclopropanecarbonyl)-N-ethyl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92591832
(3S)-N-ethyl-1-[(1S,2S)-2-methylcyclopropanecarbonyl]-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92591856
1-(cyclopentanecarbonyl)-N-ethyl-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232207
1-(2-cyclopentylacetyl)-N-ethyl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232124
(3R)-1-(cyclopropanecarbonyl)-N-propan-2-yl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92579562
1-(cyclohexanecarbonyl)-N-ethyl-4-[(3-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 95805756
(3S)-1-(cyclopropanecarbonyl)-N-propan-2-yl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92579563
(3R)-1-butanoyl-N-ethyl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92586394
N-ethyl-1-(3-methylbutanoyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232111
(3S)-1-(cyclohexanecarbonyl)-N-ethyl-3-[(4-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92591906
(3R)-N-ethyl-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 92592125
(3R)-1-(cyclopentanecarbonyl)-N-propyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92587317

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1R)-cyclohex-3-ene-1-carbonyl]-N-ethyl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(1R)-cyclohex-3-ene-1-carbonyl]-N-ethyl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide (CID 92591895) is (3R)-1-[(1R)-cyclohex-3-ene-1-carbonyl]-N-ethyl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(1R)-cyclohex-3-ene-1-carbonyl]-N-ethyl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(1R)-cyclohex-3-ene-1-carbonyl]-N-ethyl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide is CCNC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCCN(C(=O)[C@H]2CC=CCC2)C1.
What is the InChIKey of (3R)-1-[(1R)-cyclohex-3-ene-1-carbonyl]-N-ethyl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is JUUDVJFTXPZAAB-WNCULLNHSA-N. The full InChI is InChI=1S/C27H33N3O2/c1-2-29-26(32)27(14-7-17-30(20-27)25(31)23-9-4-3-5-10-23)19-21-8-6-11-24(18-21)22-12-15-28-16-13-22/h3-4,6,8,11-13,15-16,18,23H,2,5,7,9-10,14,17,19-20H2,1H3,(H,29,32)/t23-,27+/m0/s1.
What are the key properties of (3R)-1-[(1R)-cyclohex-3-ene-1-carbonyl]-N-ethyl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?
(3R)-1-[(1R)-cyclohex-3-ene-1-carbonyl]-N-ethyl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 431.58 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(1R)-cyclohex-3-ene-1-carbonyl]-N-ethyl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 92591895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).