1-[3-(cyclohexanecarbonylamino)benzoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide

C27H33N3O4 — CID 33342519

IUPAC1-[3-(cyclohexanecarbonylamino)benzoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCN(C(=O)c2cccc(NC(=O)C3CCCCC3)c2)CC1
InChIInChI=1S/C27H33N3O4/c1-34-24-13-6-5-12-23(24)29-26(32)20-14-16-30(17-15-20)27(33)21-10-7-11-22(18-21)28-25(31)19-8-3-2-4-9-19/h5-7,10-13,18-20H,2-4,8-9,14-17H2,1H3,(H,28,31)(H,29,32)
InChIKeyIQXSWUHERQTBQV-UHFFFAOYSA-N
MW463.58 g/mol
LogP4.70
Rot. Bonds6

About 1-[3-(cyclohexanecarbonylamino)benzoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide

1-[3-(cyclohexanecarbonylamino)benzoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide (PubChem CID 33342519) has the molecular formula C27H33N3O4 and a molecular weight of 463.58 g/mol. Its IUPAC name is 1-[3-(cyclohexanecarbonylamino)benzoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(cyclohexanecarbonylamino)benzoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
PubChem CID33342519
Molecular FormulaC27H33N3O4
Molecular Weight463.58 g/mol
Exact Mass463.25
IUPAC Name1-[3-(cyclohexanecarbonylamino)benzoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCN(C(=O)c2cccc(NC(=O)C3CCCCC3)c2)CC1
InChIInChI=1S/C27H33N3O4/c1-34-24-13-6-5-12-23(24)29-26(32)20-14-16-30(17-15-20)27(33)21-10-7-11-22(18-21)28-25(31)19-8-3-2-4-9-19/h5-7,10-13,18-20H,2-4,8-9,14-17H2,1H3,(H,28,31)(H,29,32)
InChIKeyIQXSWUHERQTBQV-UHFFFAOYSA-N
XLogP4.70
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyphenyl)-1-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]piperidine-4-carboxamide
CID 46432087
N-(2-methoxyphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 38646202
1-(3-cyanobenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 38646862
1-(3,5-dimethoxy-4-methylbenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 33336070
methyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-4-carboxylate
CID 51153861
1-(4-chlorobenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 2295609
1-acetyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 6468496
N-(2-methoxyphenyl)-1-[3-[3-(trifluoromethyl)phenoxy]benzoyl]piperidine-4-carboxamide
CID 33339548
3-(azepane-1-carbonyl)-N-(2-methoxyphenyl)benzamide
CID 109056708
N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 31611202
1-(3-methoxybenzoyl)-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 113007631
N-(2-ethoxyphenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113007539

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclohexanecarbonylamino)benzoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[3-(cyclohexanecarbonylamino)benzoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide (CID 33342519) is 1-[3-(cyclohexanecarbonylamino)benzoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(cyclohexanecarbonylamino)benzoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(cyclohexanecarbonylamino)benzoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide is COc1ccccc1NC(=O)C1CCN(C(=O)c2cccc(NC(=O)C3CCCCC3)c2)CC1.
What is the InChIKey of 1-[3-(cyclohexanecarbonylamino)benzoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The InChIKey is IQXSWUHERQTBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O4/c1-34-24-13-6-5-12-23(24)29-26(32)20-14-16-30(17-15-20)27(33)21-10-7-11-22(18-21)28-25(31)19-8-3-2-4-9-19/h5-7,10-13,18-20H,2-4,8-9,14-17H2,1H3,(H,28,31)(H,29,32).
What are the key properties of 1-[3-(cyclohexanecarbonylamino)benzoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide?
1-[3-(cyclohexanecarbonylamino)benzoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide has a molecular weight of 463.58 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclohexanecarbonylamino)benzoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 33342519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).