4-[4-[(2-cyclohexylacetyl)amino]phenyl]-N-(2,6-dichlorophenyl)piperidine-1-carboxamide

C26H31Cl2N3O2 — CID 58258445

IUPAC4-[4-[(2-cyclohexylacetyl)amino]phenyl]-N-(2,6-dichlorophenyl)piperidine-1-carboxamide
SMILESO=C(CC1CCCCC1)Nc1ccc(C2CCN(C(=O)Nc3c(Cl)cccc3Cl)CC2)cc1
InChIInChI=1S/C26H31Cl2N3O2/c27-22-7-4-8-23(28)25(22)30-26(33)31-15-13-20(14-16-31)19-9-11-21(12-10-19)29-24(32)17-18-5-2-1-3-6-18/h4,7-12,18,20H,1-3,5-6,13-17H2,(H,29,32)(H,30,33)
InChIKeyIQYIZLWYAICMCM-UHFFFAOYSA-N
MW488.46 g/mol
LogP7.31
Rot. Bonds5

About 4-[4-[(2-cyclohexylacetyl)amino]phenyl]-N-(2,6-dichlorophenyl)piperidine-1-carboxamide

4-[4-[(2-cyclohexylacetyl)amino]phenyl]-N-(2,6-dichlorophenyl)piperidine-1-carboxamide (PubChem CID 58258445) has the molecular formula C26H31Cl2N3O2 and a molecular weight of 488.46 g/mol. Its IUPAC name is 4-[4-[(2-cyclohexylacetyl)amino]phenyl]-N-(2,6-dichlorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-[(2-cyclohexylacetyl)amino]phenyl]-N-(2,6-dichlorophenyl)piperidine-1-carboxamide
PubChem CID58258445
Molecular FormulaC26H31Cl2N3O2
Molecular Weight488.46 g/mol
Exact Mass487.18
IUPAC Name4-[4-[(2-cyclohexylacetyl)amino]phenyl]-N-(2,6-dichlorophenyl)piperidine-1-carboxamide
SMILESO=C(CC1CCCCC1)Nc1ccc(C2CCN(C(=O)Nc3c(Cl)cccc3Cl)CC2)cc1
InChIInChI=1S/C26H31Cl2N3O2/c27-22-7-4-8-23(28)25(22)30-26(33)31-15-13-20(14-16-31)19-9-11-21(12-10-19)29-24(32)17-18-5-2-1-3-6-18/h4,7-12,18,20H,1-3,5-6,13-17H2,(H,29,32)(H,30,33)
InChIKeyIQYIZLWYAICMCM-UHFFFAOYSA-N
XLogP7.31
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.46
LogP ≤ 57.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[4-[1-[(2,6-dichlorophenyl)carbamoyl]piperidin-4-yl]phenyl]carbamate
CID 59419458
4-[4-[[2-(cyclohexylamino)acetyl]amino]phenyl]-N-(2,6-dichlorophenyl)piperazine-1-carboxamide
CID 58258690
3,5-dichloro-4-[[4-[4-(4-phenylbutanoylamino)phenyl]piperidine-1-carbonyl]amino]benzoic acid
CID 58258658
tert-butyl N-[1-[4-[1-[(2,6-dichlorophenyl)carbamoyl]piperidin-4-yl]anilino]-3-methyl-1-oxopentan-2-yl]carbamate
CID 58258657
2-cyclopentyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 7926292
2-cyclohexyl-N-(4-iodophenyl)acetamide
CID 807079
4-[4-(3-aminobutanoylamino)phenyl]-N-(2,6-dichlorophenyl)piperazine-1-carboxamide
CID 70863115
N-(4-cyclohexylphenyl)-4-methylpiperazine-1-carboxamide
CID 166373547
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-cyclohexylacetamide
CID 24758295
N-[4-[4-[(2,6-dichlorophenyl)carbamoyl]piperazin-1-yl]phenyl]-N',N'-dimethylbutanediamide
CID 58258395
ethyl 3-[4-[4-[(2,6-dichlorophenyl)carbamoyl]piperazin-1-yl]anilino]-3-oxopropanoate
CID 58258592
2-cyclopentyl-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 51176688

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-cyclohexylacetyl)amino]phenyl]-N-(2,6-dichlorophenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[4-[(2-cyclohexylacetyl)amino]phenyl]-N-(2,6-dichlorophenyl)piperidine-1-carboxamide (CID 58258445) is 4-[4-[(2-cyclohexylacetyl)amino]phenyl]-N-(2,6-dichlorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[4-[(2-cyclohexylacetyl)amino]phenyl]-N-(2,6-dichlorophenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[4-[(2-cyclohexylacetyl)amino]phenyl]-N-(2,6-dichlorophenyl)piperidine-1-carboxamide is O=C(CC1CCCCC1)Nc1ccc(C2CCN(C(=O)Nc3c(Cl)cccc3Cl)CC2)cc1.
What is the InChIKey of 4-[4-[(2-cyclohexylacetyl)amino]phenyl]-N-(2,6-dichlorophenyl)piperidine-1-carboxamide?
The InChIKey is IQYIZLWYAICMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31Cl2N3O2/c27-22-7-4-8-23(28)25(22)30-26(33)31-15-13-20(14-16-31)19-9-11-21(12-10-19)29-24(32)17-18-5-2-1-3-6-18/h4,7-12,18,20H,1-3,5-6,13-17H2,(H,29,32)(H,30,33).
What are the key properties of 4-[4-[(2-cyclohexylacetyl)amino]phenyl]-N-(2,6-dichlorophenyl)piperidine-1-carboxamide?
4-[4-[(2-cyclohexylacetyl)amino]phenyl]-N-(2,6-dichlorophenyl)piperidine-1-carboxamide has a molecular weight of 488.46 g/mol, XLogP of 7.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-cyclohexylacetyl)amino]phenyl]-N-(2,6-dichlorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 58258445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).