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

C30H34ClN3O3 — CID 44532253

IUPAC4-[(4-chlorobenzoyl)amino]-N-[4-[4-(2-methoxyphenyl)piperidin-1-yl]butyl]benzamide
SMILESCOc1ccccc1C1CCN(CCCCNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C30H34ClN3O3/c1-37-28-7-3-2-6-27(28)22-16-20-34(21-17-22)19-5-4-18-32-29(35)23-10-14-26(15-11-23)33-30(36)24-8-12-25(31)13-9-24/h2-3,6-15,22H,4-5,16-21H2,1H3,(H,32,35)(H,33,36)
InChIKeyYLZARWQITNYKAT-UHFFFAOYSA-N
MW520.07 g/mol
LogP5.99
Rot. Bonds10

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

4-[(4-chlorobenzoyl)amino]-N-[4-[4-(2-methoxyphenyl)piperidin-1-yl]butyl]benzamide (PubChem CID 44532253) has the molecular formula C30H34ClN3O3 and a molecular weight of 520.07 g/mol. Its IUPAC name is 4-[(4-chlorobenzoyl)amino]-N-[4-[4-(2-methoxyphenyl)piperidin-1-yl]butyl]benzamide.

Molecular Properties

Compound Name4-[(4-chlorobenzoyl)amino]-N-[4-[4-(2-methoxyphenyl)piperidin-1-yl]butyl]benzamide
PubChem CID44532253
Molecular FormulaC30H34ClN3O3
Molecular Weight520.07 g/mol
Exact Mass519.23
IUPAC Name4-[(4-chlorobenzoyl)amino]-N-[4-[4-(2-methoxyphenyl)piperidin-1-yl]butyl]benzamide
SMILESCOc1ccccc1C1CCN(CCCCNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C30H34ClN3O3/c1-37-28-7-3-2-6-27(28)22-16-20-34(21-17-22)19-5-4-18-32-29(35)23-10-14-26(15-11-23)33-30(36)24-8-12-25(31)13-9-24/h2-3,6-15,22H,4-5,16-21H2,1H3,(H,32,35)(H,33,36)
InChIKeyYLZARWQITNYKAT-UHFFFAOYSA-N
XLogP5.99
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.07
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorobenzoyl)amino]-N-[4-[4-(2-methoxyphenyl)piperidin-1-yl]butyl]benzamide?
The IUPAC name of 4-[(4-chlorobenzoyl)amino]-N-[4-[4-(2-methoxyphenyl)piperidin-1-yl]butyl]benzamide (CID 44532253) is 4-[(4-chlorobenzoyl)amino]-N-[4-[4-(2-methoxyphenyl)piperidin-1-yl]butyl]benzamide.
What is the SMILES notation for 4-[(4-chlorobenzoyl)amino]-N-[4-[4-(2-methoxyphenyl)piperidin-1-yl]butyl]benzamide?
The canonical SMILES for 4-[(4-chlorobenzoyl)amino]-N-[4-[4-(2-methoxyphenyl)piperidin-1-yl]butyl]benzamide is COc1ccccc1C1CCN(CCCCNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1.
What is the InChIKey of 4-[(4-chlorobenzoyl)amino]-N-[4-[4-(2-methoxyphenyl)piperidin-1-yl]butyl]benzamide?
The InChIKey is YLZARWQITNYKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34ClN3O3/c1-37-28-7-3-2-6-27(28)22-16-20-34(21-17-22)19-5-4-18-32-29(35)23-10-14-26(15-11-23)33-30(36)24-8-12-25(31)13-9-24/h2-3,6-15,22H,4-5,16-21H2,1H3,(H,32,35)(H,33,36).
What are the key properties of 4-[(4-chlorobenzoyl)amino]-N-[4-[4-(2-methoxyphenyl)piperidin-1-yl]butyl]benzamide?
4-[(4-chlorobenzoyl)amino]-N-[4-[4-(2-methoxyphenyl)piperidin-1-yl]butyl]benzamide has a molecular weight of 520.07 g/mol, XLogP of 5.99, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorobenzoyl)amino]-N-[4-[4-(2-methoxyphenyl)piperidin-1-yl]butyl]benzamide is sourced from PubChem (CID 44532253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).