5-[(4-chlorophenyl)carbamoylamino]-N,N-diethyl-2-piperidin-1-ylbenzamide

C23H29ClN4O2 — CID 1066980

IUPAC5-[(4-chlorophenyl)carbamoylamino]-N,N-diethyl-2-piperidin-1-ylbenzamide
SMILESCCN(CC)C(=O)c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1N1CCCCC1
InChIInChI=1S/C23H29ClN4O2/c1-3-27(4-2)22(29)20-16-19(12-13-21(20)28-14-6-5-7-15-28)26-23(30)25-18-10-8-17(24)9-11-18/h8-13,16H,3-7,14-15H2,1-2H3,(H2,25,26,30)
InChIKeyUXYGSVCBIIPACI-UHFFFAOYSA-N
MW428.96 g/mol
LogP5.46
Rot. Bonds6

About 5-[(4-chlorophenyl)carbamoylamino]-N,N-diethyl-2-piperidin-1-ylbenzamide

5-[(4-chlorophenyl)carbamoylamino]-N,N-diethyl-2-piperidin-1-ylbenzamide (PubChem CID 1066980) has the molecular formula C23H29ClN4O2 and a molecular weight of 428.96 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)carbamoylamino]-N,N-diethyl-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name5-[(4-chlorophenyl)carbamoylamino]-N,N-diethyl-2-piperidin-1-ylbenzamide
PubChem CID1066980
Molecular FormulaC23H29ClN4O2
Molecular Weight428.96 g/mol
Exact Mass428.20
IUPAC Name5-[(4-chlorophenyl)carbamoylamino]-N,N-diethyl-2-piperidin-1-ylbenzamide
SMILESCCN(CC)C(=O)c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1N1CCCCC1
InChIInChI=1S/C23H29ClN4O2/c1-3-27(4-2)22(29)20-16-19(12-13-21(20)28-14-6-5-7-15-28)26-23(30)25-18-10-8-17(24)9-11-18/h8-13,16H,3-7,14-15H2,1-2H3,(H2,25,26,30)
InChIKeyUXYGSVCBIIPACI-UHFFFAOYSA-N
XLogP5.46
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.96
LogP ≤ 55.46
H-Bond Donors ≤ 52
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

5-[(3,4-difluorophenyl)carbamoylamino]-N,N-diethyl-2-piperidin-1-ylbenzamide
CID 1067019
N,N-diethyl-5-[(4-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 1066991
5-[(4-chlorobenzoyl)amino]-N,N-diethyl-2-piperidin-1-ylbenzamide
CID 1066011
5-[(4-bromophenyl)carbamoylamino]-N,N-diethyl-2-pyrrolidin-1-ylbenzamide
CID 1067188
N,N-diethyl-5-[(3-fluorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 1066998
N,N-diethyl-5-[(2-methylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 1067210
5-(cyclopropanecarbonylamino)-N,N-diethyl-2-pyrrolidin-1-ylbenzamide
CID 771581
N-[(2R)-butan-2-yl]-5-[(4-chlorophenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 1065276
5-benzamido-N,N-diethyl-2-pyrrolidin-1-ylbenzamide
CID 42757077
N,N-diethyl-5-[(4-ethylbenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 1066044
5-[(4-chlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 4012992
5-[(2-chlorobenzoyl)amino]-2-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-N,N-diethylbenzamide
CID 42676112

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)carbamoylamino]-N,N-diethyl-2-piperidin-1-ylbenzamide?
The IUPAC name of 5-[(4-chlorophenyl)carbamoylamino]-N,N-diethyl-2-piperidin-1-ylbenzamide (CID 1066980) is 5-[(4-chlorophenyl)carbamoylamino]-N,N-diethyl-2-piperidin-1-ylbenzamide.
What is the SMILES notation for 5-[(4-chlorophenyl)carbamoylamino]-N,N-diethyl-2-piperidin-1-ylbenzamide?
The canonical SMILES for 5-[(4-chlorophenyl)carbamoylamino]-N,N-diethyl-2-piperidin-1-ylbenzamide is CCN(CC)C(=O)c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1N1CCCCC1.
What is the InChIKey of 5-[(4-chlorophenyl)carbamoylamino]-N,N-diethyl-2-piperidin-1-ylbenzamide?
The InChIKey is UXYGSVCBIIPACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4O2/c1-3-27(4-2)22(29)20-16-19(12-13-21(20)28-14-6-5-7-15-28)26-23(30)25-18-10-8-17(24)9-11-18/h8-13,16H,3-7,14-15H2,1-2H3,(H2,25,26,30).
What are the key properties of 5-[(4-chlorophenyl)carbamoylamino]-N,N-diethyl-2-piperidin-1-ylbenzamide?
5-[(4-chlorophenyl)carbamoylamino]-N,N-diethyl-2-piperidin-1-ylbenzamide has a molecular weight of 428.96 g/mol, XLogP of 5.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)carbamoylamino]-N,N-diethyl-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 1066980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).