[1-(4-tert-butylcyclohexanecarbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone

C24H35NO3 — CID 41307097

IUPAC[1-(4-tert-butylcyclohexanecarbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCN(C(=O)C3CCC(C(C)(C)C)CC3)CC2)cc1
InChIInChI=1S/C24H35NO3/c1-24(2,3)20-9-5-19(6-10-20)23(27)25-15-13-18(14-16-25)22(26)17-7-11-21(28-4)12-8-17/h7-8,11-12,18-20H,5-6,9-10,13-16H2,1-4H3
InChIKeyRBYQEGNMDZUVOQ-UHFFFAOYSA-N
MW385.55 g/mol
LogP4.97
Rot. Bonds4

About [1-(4-tert-butylcyclohexanecarbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone

[1-(4-tert-butylcyclohexanecarbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone (PubChem CID 41307097) has the molecular formula C24H35NO3 and a molecular weight of 385.55 g/mol. Its IUPAC name is [1-(4-tert-butylcyclohexanecarbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[1-(4-tert-butylcyclohexanecarbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
PubChem CID41307097
Molecular FormulaC24H35NO3
Molecular Weight385.55 g/mol
Exact Mass385.26
IUPAC Name[1-(4-tert-butylcyclohexanecarbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCN(C(=O)C3CCC(C(C)(C)C)CC3)CC2)cc1
InChIInChI=1S/C24H35NO3/c1-24(2,3)20-9-5-19(6-10-20)23(27)25-15-13-18(14-16-25)22(26)17-7-11-21(28-4)12-8-17/h7-8,11-12,18-20H,5-6,9-10,13-16H2,1-4H3
InChIKeyRBYQEGNMDZUVOQ-UHFFFAOYSA-N
XLogP4.97
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [1-(4-tert-butylcyclohexanecarbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone with MolForge

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Related Compounds

(4-methoxyphenyl)-[1-[1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carbonyl]piperidin-4-yl]methanone
CID 112840004
(4-methoxyphenyl)-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]methanone
CID 24688123
cyclopentyl-[3-(4-methoxybenzoyl)piperidin-1-yl]methanone
CID 110394678
N'-(4-tert-butylcyclohexanecarbonyl)-4-methoxybenzohydrazide
CID 2090870
cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396800
2-(4-chlorophenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-methylpropan-1-one
CID 25474118
phenyl 4-(4-methoxybenzoyl)piperidine-1-carboxylate
CID 110394064
(4-methoxyphenyl)-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]methanone
CID 25475529
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 41307378
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473798
N-(4-iodophenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide
CID 112824394
1-(cyclopropanecarbonyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]piperidine-4-carboxamide
CID 55880213

Frequently Asked Questions

What is the IUPAC name of [1-(4-tert-butylcyclohexanecarbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [1-(4-tert-butylcyclohexanecarbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone (CID 41307097) is [1-(4-tert-butylcyclohexanecarbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [1-(4-tert-butylcyclohexanecarbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [1-(4-tert-butylcyclohexanecarbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)C2CCN(C(=O)C3CCC(C(C)(C)C)CC3)CC2)cc1.
What is the InChIKey of [1-(4-tert-butylcyclohexanecarbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone?
The InChIKey is RBYQEGNMDZUVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO3/c1-24(2,3)20-9-5-19(6-10-20)23(27)25-15-13-18(14-16-25)22(26)17-7-11-21(28-4)12-8-17/h7-8,11-12,18-20H,5-6,9-10,13-16H2,1-4H3.
What are the key properties of [1-(4-tert-butylcyclohexanecarbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone?
[1-(4-tert-butylcyclohexanecarbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone has a molecular weight of 385.55 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-tert-butylcyclohexanecarbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 41307097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).