2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]benzamide

C28H30ClN3O3 — CID 46037896

IUPAC2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccccc1CCNC(=O)c1ccccc1N1CCC(NC(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C28H30ClN3O3/c1-35-26-13-7-2-8-20(26)14-17-30-27(33)23-10-4-6-12-25(23)32-18-15-21(16-19-32)31-28(34)22-9-3-5-11-24(22)29/h2-13,21H,14-19H2,1H3,(H,30,33)(H,31,34)
InChIKeyZVWHKQIOWFXFTI-UHFFFAOYSA-N
MW492.02 g/mol
LogP4.72
Rot. Bonds8

About 2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]benzamide

2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]benzamide (PubChem CID 46037896) has the molecular formula C28H30ClN3O3 and a molecular weight of 492.02 g/mol. Its IUPAC name is 2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]benzamide
PubChem CID46037896
Molecular FormulaC28H30ClN3O3
Molecular Weight492.02 g/mol
Exact Mass491.20
IUPAC Name2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccccc1CCNC(=O)c1ccccc1N1CCC(NC(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C28H30ClN3O3/c1-35-26-13-7-2-8-20(26)14-17-30-27(33)23-10-4-6-12-25(23)32-18-15-21(16-19-32)31-28(34)22-9-3-5-11-24(22)29/h2-13,21H,14-19H2,1H3,(H,30,33)(H,31,34)
InChIKeyZVWHKQIOWFXFTI-UHFFFAOYSA-N
XLogP4.72
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.02
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]piperidin-4-yl]-2-methylbenzamide
CID 46037909
N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
CID 46037893
2-[4-(cyclopentanecarbonylamino)piperidin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 46037903
N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-methylbutanoylamino)piperidin-1-yl]benzamide
CID 46037912
3,5-difluoro-N-[1-[2-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]piperidin-4-yl]benzamide
CID 46037917
2,4-dichloro-N-[1-[2-(cyclopropylmethylcarbamoyl)phenyl]piperidin-4-yl]benzamide
CID 42848150
2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-ethyl-N-methylbenzamide
CID 46038281
N-(2-methoxyethyl)-2-[4-[(2-phenylacetyl)amino]piperidin-1-yl]benzamide
CID 42847988
2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 93324123
N-cyclopropyl-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
CID 42848047
2-chloro-N-[1-(2-methoxyphenyl)piperidin-4-yl]pyridine-3-carboxamide
CID 136579840
2-(4-benzamidopiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 46037520

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]benzamide (CID 46037896) is 2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]benzamide is COc1ccccc1CCNC(=O)c1ccccc1N1CCC(NC(=O)c2ccccc2Cl)CC1.
What is the InChIKey of 2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]benzamide?
The InChIKey is ZVWHKQIOWFXFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClN3O3/c1-35-26-13-7-2-8-20(26)14-17-30-27(33)23-10-4-6-12-25(23)32-18-15-21(16-19-32)31-28(34)22-9-3-5-11-24(22)29/h2-13,21H,14-19H2,1H3,(H,30,33)(H,31,34).
What are the key properties of 2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]benzamide?
2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]benzamide has a molecular weight of 492.02 g/mol, XLogP of 4.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 46037896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).