4-[bis(4-chlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide

C24H29Cl2N3O — CID 44560256

IUPAC4-[bis(4-chlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H29Cl2N3O/c25-20-10-6-18(7-11-20)23(19-8-12-21(26)13-9-19)28-14-16-29(17-15-28)24(30)27-22-4-2-1-3-5-22/h6-13,22-23H,1-5,14-17H2,(H,27,30)
InChIKeyOANLDZVRJDMUGO-UHFFFAOYSA-N
MW446.42 g/mol
LogP5.74
Rot. Bonds4

About 4-[bis(4-chlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide

4-[bis(4-chlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide (PubChem CID 44560256) has the molecular formula C24H29Cl2N3O and a molecular weight of 446.42 g/mol. Its IUPAC name is 4-[bis(4-chlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[bis(4-chlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide
PubChem CID44560256
Molecular FormulaC24H29Cl2N3O
Molecular Weight446.42 g/mol
Exact Mass445.17
IUPAC Name4-[bis(4-chlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H29Cl2N3O/c25-20-10-6-18(7-11-20)23(19-8-12-21(26)13-9-19)28-14-16-29(17-15-28)24(30)27-22-4-2-1-3-5-22/h6-13,22-23H,1-5,14-17H2,(H,27,30)
InChIKeyOANLDZVRJDMUGO-UHFFFAOYSA-N
XLogP5.74
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.42
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Norchlorcyclizine
CID 9340
Clocinizine
CID 5375618
4-benzhydryl-N-butylpiperazine-1-carboxamide
CID 2809754
1-[Bis(4-chlorophenyl)methyl]piperazine
CID 285510
Norchlorcyclizine, (-)-
CID 668697
4-benzhydryl-N-cyclohexylpiperazine-1-carboxamide
CID 1358608
N,4-dibenzhydrylpiperazine-1-carboxamide
CID 10115592
1-(2-(2-Chlorophenyl)-1-phenylethyl)piperazine
CID 44414719
1-(2-(3-Chlorophenyl)-1-phenylethyl)piperazine
CID 44414720
1-(1-Benzyl-piperidin-4-yl)-4-(4-chloro-phenyl)-5-methyl-1,3-dihydro-imidazol-2-one
CID 10643588
1-[1-(3-Chloro-benzyl)-piperidin-4-yl]-5-methyl-4-phenyl-1,3-dihydro-imidazol-2-one
CID 10667579
N-(4-chlorophenethyl)-3-methyl-3-phenylpiperidine-1-carboxamide
CID 42643589

Frequently Asked Questions

What is the IUPAC name of 4-[bis(4-chlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide?
The IUPAC name of 4-[bis(4-chlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide (CID 44560256) is 4-[bis(4-chlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[bis(4-chlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide?
The canonical SMILES for 4-[bis(4-chlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide is O=C(NC1CCCCC1)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-[bis(4-chlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide?
The InChIKey is OANLDZVRJDMUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29Cl2N3O/c25-20-10-6-18(7-11-20)23(19-8-12-21(26)13-9-19)28-14-16-29(17-15-28)24(30)27-22-4-2-1-3-5-22/h6-13,22-23H,1-5,14-17H2,(H,27,30).
What are the key properties of 4-[bis(4-chlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide?
4-[bis(4-chlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide has a molecular weight of 446.42 g/mol, XLogP of 5.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(4-chlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide is sourced from PubChem (CID 44560256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).