1-[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide

C24H28Cl2N4O3 — CID 60547171

IUPAC1-[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
SMILESCC(C)CC(NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1
InChIInChI=1S/C24H28Cl2N4O3/c1-15(2)13-20(28-22(31)16-3-5-18(25)6-4-16)24(33)30-11-9-17(10-12-30)23(32)29-21-8-7-19(26)14-27-21/h3-8,14-15,17,20H,9-13H2,1-2H3,(H,28,31)(H,27,29,32)
InChIKeyANYFAHPBZKIUOF-UHFFFAOYSA-N
MW491.42 g/mol
LogP4.41
Rot. Bonds7

About 1-[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide

1-[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 60547171) has the molecular formula C24H28Cl2N4O3 and a molecular weight of 491.42 g/mol. Its IUPAC name is 1-[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
PubChem CID60547171
Molecular FormulaC24H28Cl2N4O3
Molecular Weight491.42 g/mol
Exact Mass490.15
IUPAC Name1-[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
SMILESCC(C)CC(NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1
InChIInChI=1S/C24H28Cl2N4O3/c1-15(2)13-20(28-22(31)16-3-5-18(25)6-4-16)24(33)30-11-9-17(10-12-30)23(32)29-21-8-7-19(26)14-27-21/h3-8,14-15,17,20H,9-13H2,1-2H3,(H,28,31)(H,27,29,32)
InChIKeyANYFAHPBZKIUOF-UHFFFAOYSA-N
XLogP4.41
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.42
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[4-methyl-1-oxo-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pentan-2-yl]benzamide
CID 55469448
4-chloro-N-[1-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 60572049
1-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 55930502
N-(5-chloro-2-pyridinyl)-1-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperidine-4-carboxamide
CID 55931538
N-[1-(4-benzoylpiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide
CID 24682927
1-(4-chlorobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 24980605
4-chloro-N-[(2S)-4-methyl-1-[(2R)-2-methylmorpholin-4-yl]-1-oxopentan-2-yl]benzamide
CID 37034025
1-(3-aminopropanoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 119856586
N-(5-chloro-2-pyridinyl)-1-[3-(4-propan-2-ylphenyl)propanoyl]piperidine-4-carboxamide
CID 55923776
N-(5-chloro-2-pyridinyl)-1-[3-oxo-3-(1-phenylethylamino)propyl]piperidine-4-carboxamide
CID 56525511
N-(5-chloro-2-pyridinyl)-1-(3,3-diphenylpropanoyl)piperidine-4-carboxamide
CID 55813160
N-(5-chloro-2-pyridinyl)-1-(1-ethyl-5-methylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 166248157

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide (CID 60547171) is 1-[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide is CC(C)CC(NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1.
What is the InChIKey of 1-[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is ANYFAHPBZKIUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Cl2N4O3/c1-15(2)13-20(28-22(31)16-3-5-18(25)6-4-16)24(33)30-11-9-17(10-12-30)23(32)29-21-8-7-19(26)14-27-21/h3-8,14-15,17,20H,9-13H2,1-2H3,(H,28,31)(H,27,29,32).
What are the key properties of 1-[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
1-[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 491.42 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 60547171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).