4-chloro-N-[1-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide

C25H37ClN4O3 — CID 60572049

IUPAC4-chloro-N-[1-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide
SMILESCC(C)CC(NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(NC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C25H37ClN4O3/c1-17(2)16-22(29-23(31)18-8-10-19(26)11-9-18)24(32)30-14-12-21(13-15-30)28-25(33)27-20-6-4-3-5-7-20/h8-11,17,20-22H,3-7,12-16H2,1-2H3,(H,29,31)(H2,27,28,33)
InChIKeyJDJOSTDPSPJTLG-UHFFFAOYSA-N
MW477.05 g/mol
LogP4.11
Rot. Bonds7

About 4-chloro-N-[1-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide

4-chloro-N-[1-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide (PubChem CID 60572049) has the molecular formula C25H37ClN4O3 and a molecular weight of 477.05 g/mol. Its IUPAC name is 4-chloro-N-[1-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide
PubChem CID60572049
Molecular FormulaC25H37ClN4O3
Molecular Weight477.05 g/mol
Exact Mass476.26
IUPAC Name4-chloro-N-[1-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide
SMILESCC(C)CC(NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(NC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C25H37ClN4O3/c1-17(2)16-22(29-23(31)18-8-10-19(26)11-9-18)24(32)30-14-12-21(13-15-30)28-25(33)27-20-6-4-3-5-7-20/h8-11,17,20-22H,3-7,12-16H2,1-2H3,(H,29,31)(H2,27,28,33)
InChIKeyJDJOSTDPSPJTLG-UHFFFAOYSA-N
XLogP4.11
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.05
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-[1-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide 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
1-[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 60547171
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
CID 7648880
4-chloro-N-[(2S)-4-methyl-1-[(2R)-2-methylmorpholin-4-yl]-1-oxopentan-2-yl]benzamide
CID 37034025
4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32542302
4-chloro-N-[4-methyl-1-oxo-1-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]pentan-2-yl]benzamide
CID 55857815
1-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-propan-2-ylurea
CID 110821055
4-chloro-N-[(2R)-4-methyl-1-oxo-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)pentan-2-yl]benzamide
CID 9254267
4-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide
CID 110351340
4-chloro-N-[(2R)-4-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]-1-oxopentan-2-yl]benzamide
CID 9152960
4-ethyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide
CID 146680933
N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-4-(trifluoromethyl)benzamide
CID 110351388

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[1-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide (CID 60572049) is 4-chloro-N-[1-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[1-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide is CC(C)CC(NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(NC(=O)NC2CCCCC2)CC1.
What is the InChIKey of 4-chloro-N-[1-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide?
The InChIKey is JDJOSTDPSPJTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37ClN4O3/c1-17(2)16-22(29-23(31)18-8-10-19(26)11-9-18)24(32)30-14-12-21(13-15-30)28-25(33)27-20-6-4-3-5-7-20/h8-11,17,20-22H,3-7,12-16H2,1-2H3,(H,29,31)(H2,27,28,33).
What are the key properties of 4-chloro-N-[1-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide?
4-chloro-N-[1-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide has a molecular weight of 477.05 g/mol, XLogP of 4.11, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 60572049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).