5-[(4-chlorobenzoyl)amino]-N,N-diethyl-2-piperidin-1-ylbenzamide

C23H28ClN3O2 — CID 1066011

IUPAC5-[(4-chlorobenzoyl)amino]-N,N-diethyl-2-piperidin-1-ylbenzamide
SMILESCCN(CC)C(=O)c1cc(NC(=O)c2ccc(Cl)cc2)ccc1N1CCCCC1
InChIInChI=1S/C23H28ClN3O2/c1-3-26(4-2)23(29)20-16-19(12-13-21(20)27-14-6-5-7-15-27)25-22(28)17-8-10-18(24)11-9-17/h8-13,16H,3-7,14-15H2,1-2H3,(H,25,28)
InChIKeyFOYPPPNWCBSGPH-UHFFFAOYSA-N
MW413.95 g/mol
LogP5.06
Rot. Bonds6

About 5-[(4-chlorobenzoyl)amino]-N,N-diethyl-2-piperidin-1-ylbenzamide

5-[(4-chlorobenzoyl)amino]-N,N-diethyl-2-piperidin-1-ylbenzamide (PubChem CID 1066011) has the molecular formula C23H28ClN3O2 and a molecular weight of 413.95 g/mol. Its IUPAC name is 5-[(4-chlorobenzoyl)amino]-N,N-diethyl-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name5-[(4-chlorobenzoyl)amino]-N,N-diethyl-2-piperidin-1-ylbenzamide
PubChem CID1066011
Molecular FormulaC23H28ClN3O2
Molecular Weight413.95 g/mol
Exact Mass413.19
IUPAC Name5-[(4-chlorobenzoyl)amino]-N,N-diethyl-2-piperidin-1-ylbenzamide
SMILESCCN(CC)C(=O)c1cc(NC(=O)c2ccc(Cl)cc2)ccc1N1CCCCC1
InChIInChI=1S/C23H28ClN3O2/c1-3-26(4-2)23(29)20-16-19(12-13-21(20)27-14-6-5-7-15-27)25-22(28)17-8-10-18(24)11-9-17/h8-13,16H,3-7,14-15H2,1-2H3,(H,25,28)
InChIKeyFOYPPPNWCBSGPH-UHFFFAOYSA-N
XLogP5.06
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.95
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-5-[(4-ethylbenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 1066044
5-[(4-chlorophenyl)carbamoylamino]-N,N-diethyl-2-piperidin-1-ylbenzamide
CID 1066980
5-benzamido-N,N-diethyl-2-pyrrolidin-1-ylbenzamide
CID 42757077
N,N-diethyl-5-[(4-phenylbenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 3374189
N-tert-butyl-4-[4-[(4-chlorobenzoyl)amino]-2-(diethylcarbamoyl)phenyl]piperazine-1-carboxamide
CID 42673259
5-[(2-chlorobenzoyl)amino]-2-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-N,N-diethylbenzamide
CID 42676112
5-[(3,4-difluorophenyl)carbamoylamino]-N,N-diethyl-2-piperidin-1-ylbenzamide
CID 1067019
2-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-5-(cyclopentanecarbonylamino)-N,N-diethylbenzamide
CID 42676118
N,N-diethyl-5-[(4-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 1066991
N-[3-(diethylcarbamoyl)-4-piperidin-1-ylphenyl]naphthalene-1-carboxamide
CID 1066031
N-[3-(diethylcarbamoyl)-4-piperidin-1-ylphenyl]thiophene-2-carboxamide
CID 1066015
5-(cyclopropanecarbonylamino)-N,N-diethyl-2-pyrrolidin-1-ylbenzamide
CID 771581

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorobenzoyl)amino]-N,N-diethyl-2-piperidin-1-ylbenzamide?
The IUPAC name of 5-[(4-chlorobenzoyl)amino]-N,N-diethyl-2-piperidin-1-ylbenzamide (CID 1066011) is 5-[(4-chlorobenzoyl)amino]-N,N-diethyl-2-piperidin-1-ylbenzamide.
What is the SMILES notation for 5-[(4-chlorobenzoyl)amino]-N,N-diethyl-2-piperidin-1-ylbenzamide?
The canonical SMILES for 5-[(4-chlorobenzoyl)amino]-N,N-diethyl-2-piperidin-1-ylbenzamide is CCN(CC)C(=O)c1cc(NC(=O)c2ccc(Cl)cc2)ccc1N1CCCCC1.
What is the InChIKey of 5-[(4-chlorobenzoyl)amino]-N,N-diethyl-2-piperidin-1-ylbenzamide?
The InChIKey is FOYPPPNWCBSGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O2/c1-3-26(4-2)23(29)20-16-19(12-13-21(20)27-14-6-5-7-15-27)25-22(28)17-8-10-18(24)11-9-17/h8-13,16H,3-7,14-15H2,1-2H3,(H,25,28).
What are the key properties of 5-[(4-chlorobenzoyl)amino]-N,N-diethyl-2-piperidin-1-ylbenzamide?
5-[(4-chlorobenzoyl)amino]-N,N-diethyl-2-piperidin-1-ylbenzamide has a molecular weight of 413.95 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorobenzoyl)amino]-N,N-diethyl-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 1066011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).