4-amino-1-(4-chlorobenzoyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide

C22H26ClN3O2 — CID 50913817

IUPAC4-amino-1-(4-chlorobenzoyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2(N)CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C22H26ClN3O2/c1-15(2)16-5-9-19(10-6-16)25-21(28)22(24)11-13-26(14-12-22)20(27)17-3-7-18(23)8-4-17/h3-10,15H,11-14,24H2,1-2H3,(H,25,28)
InChIKeyRKOQIOPBDILBFG-UHFFFAOYSA-N
MW399.92 g/mol
LogP4.04
Rot. Bonds4

About 4-amino-1-(4-chlorobenzoyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide

4-amino-1-(4-chlorobenzoyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide (PubChem CID 50913817) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is 4-amino-1-(4-chlorobenzoyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-amino-1-(4-chlorobenzoyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
PubChem CID50913817
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC Name4-amino-1-(4-chlorobenzoyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2(N)CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C22H26ClN3O2/c1-15(2)16-5-9-19(10-6-16)25-21(28)22(24)11-13-26(14-12-22)20(27)17-3-7-18(23)8-4-17/h3-10,15H,11-14,24H2,1-2H3,(H,25,28)
InChIKeyRKOQIOPBDILBFG-UHFFFAOYSA-N
XLogP4.04
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-N-(4-tert-butylphenyl)-4-N-(4-propan-2-ylphenyl)piperidine-1,4-dicarboxamide;hydrochloride
CID 66926127
1-amino-N-(4-propan-2-ylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119262760
4-amino-N-(4-propan-2-ylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 66921149
4-amino-4-N-(4-propan-2-ylphenyl)-1-N-[4-(trifluoromethoxy)phenyl]piperidine-1,4-dicarboxamide
CID 58129384
4-amino-1-(2-methylpropylsulfonyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 66921245
[4-(4-chlorophenyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 2169854
3-amino-1-(4-chlorobenzoyl)pyrrolidine-3-carboxylic acid
CID 107323378
ethyl N-[4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]carbamate
CID 9183800
1-amino-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]cyclopropane-1-carboxamide
CID 119744203
4-chloro-N-[3-oxo-3-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propyl]benzamide
CID 38027747
6-azaspiro[2.5]octan-6-yl-(4-chlorophenyl)methanone
CID 97374342
4-(4-chlorobenzoyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 55560081

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-chlorobenzoyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of 4-amino-1-(4-chlorobenzoyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide (CID 50913817) is 4-amino-1-(4-chlorobenzoyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-amino-1-(4-chlorobenzoyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 4-amino-1-(4-chlorobenzoyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide is CC(C)c1ccc(NC(=O)C2(N)CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 4-amino-1-(4-chlorobenzoyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
The InChIKey is RKOQIOPBDILBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-15(2)16-5-9-19(10-6-16)25-21(28)22(24)11-13-26(14-12-22)20(27)17-3-7-18(23)8-4-17/h3-10,15H,11-14,24H2,1-2H3,(H,25,28).
What are the key properties of 4-amino-1-(4-chlorobenzoyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
4-amino-1-(4-chlorobenzoyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide has a molecular weight of 399.92 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-chlorobenzoyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 50913817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).