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

C24H32N4O2 — CID 1066991

IUPACN,N-diethyl-5-[(4-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
SMILESCCN(CC)C(=O)c1cc(NC(=O)Nc2ccc(C)cc2)ccc1N1CCCCC1
InChIInChI=1S/C24H32N4O2/c1-4-27(5-2)23(29)21-17-20(13-14-22(21)28-15-7-6-8-16-28)26-24(30)25-19-11-9-18(3)10-12-19/h9-14,17H,4-8,15-16H2,1-3H3,(H2,25,26,30)
InChIKeyXASPEMNHIDIOLQ-UHFFFAOYSA-N
MW408.55 g/mol
LogP5.11
Rot. Bonds6

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

N,N-diethyl-5-[(4-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide (PubChem CID 1066991) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N,N-diethyl-5-[(4-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN,N-diethyl-5-[(4-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
PubChem CID1066991
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC NameN,N-diethyl-5-[(4-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
SMILESCCN(CC)C(=O)c1cc(NC(=O)Nc2ccc(C)cc2)ccc1N1CCCCC1
InChIInChI=1S/C24H32N4O2/c1-4-27(5-2)23(29)21-17-20(13-14-22(21)28-15-7-6-8-16-28)26-24(30)25-19-11-9-18(3)10-12-19/h9-14,17H,4-8,15-16H2,1-3H3,(H2,25,26,30)
InChIKeyXASPEMNHIDIOLQ-UHFFFAOYSA-N
XLogP5.11
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.55
LogP ≤ 55.11
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-[(4-chlorophenyl)carbamoylamino]-N,N-diethyl-2-piperidin-1-ylbenzamide
CID 1066980
5-[(4-bromophenyl)carbamoylamino]-N,N-diethyl-2-pyrrolidin-1-ylbenzamide
CID 1067188
5-[(3,4-difluorophenyl)carbamoylamino]-N,N-diethyl-2-piperidin-1-ylbenzamide
CID 1067019
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,N-diethyl-5-[(4-phenylbenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 3374189
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-chlorobenzoyl)amino]-N,N-diethyl-2-piperidin-1-ylbenzamide
CID 1066011
N-(2-methoxyethyl)-5-[(4-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 3588490
N-(2-methoxyethyl)-5-[(4-methylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 42756347

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[(4-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide?
The IUPAC name of N,N-diethyl-5-[(4-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide (CID 1066991) is N,N-diethyl-5-[(4-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide.
What is the SMILES notation for N,N-diethyl-5-[(4-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide?
The canonical SMILES for N,N-diethyl-5-[(4-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide is CCN(CC)C(=O)c1cc(NC(=O)Nc2ccc(C)cc2)ccc1N1CCCCC1.
What is the InChIKey of N,N-diethyl-5-[(4-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide?
The InChIKey is XASPEMNHIDIOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-4-27(5-2)23(29)21-17-20(13-14-22(21)28-15-7-6-8-16-28)26-24(30)25-19-11-9-18(3)10-12-19/h9-14,17H,4-8,15-16H2,1-3H3,(H2,25,26,30).
What are the key properties of N,N-diethyl-5-[(4-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide?
N,N-diethyl-5-[(4-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide has a molecular weight of 408.55 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[(4-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 1066991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).