N-cyclohexyl-3-(4-phenylpiperazine-1-carbonyl)benzamide

C24H29N3O2 — CID 109052171

IUPACN-cyclohexyl-3-(4-phenylpiperazine-1-carbonyl)benzamide
SMILESO=C(NC1CCCCC1)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C24H29N3O2/c28-23(25-21-10-3-1-4-11-21)19-8-7-9-20(18-19)24(29)27-16-14-26(15-17-27)22-12-5-2-6-13-22/h2,5-9,12-13,18,21H,1,3-4,10-11,14-17H2,(H,25,28)
InChIKeyUBTOCFWCSIIQFX-UHFFFAOYSA-N
MW391.51 g/mol
LogP3.71
Rot. Bonds4

About N-cyclohexyl-3-(4-phenylpiperazine-1-carbonyl)benzamide

N-cyclohexyl-3-(4-phenylpiperazine-1-carbonyl)benzamide (PubChem CID 109052171) has the molecular formula C24H29N3O2 and a molecular weight of 391.51 g/mol. Its IUPAC name is N-cyclohexyl-3-(4-phenylpiperazine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(4-phenylpiperazine-1-carbonyl)benzamide
PubChem CID109052171
Molecular FormulaC24H29N3O2
Molecular Weight391.51 g/mol
Exact Mass391.23
IUPAC NameN-cyclohexyl-3-(4-phenylpiperazine-1-carbonyl)benzamide
SMILESO=C(NC1CCCCC1)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C24H29N3O2/c28-23(25-21-10-3-1-4-11-21)19-8-7-9-20(18-19)24(29)27-16-14-26(15-17-27)22-12-5-2-6-13-22/h2,5-9,12-13,18,21H,1,3-4,10-11,14-17H2,(H,25,28)
InChIKeyUBTOCFWCSIIQFX-UHFFFAOYSA-N
XLogP3.71
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-3-(pyrrolidine-1-carbonyl)benzamide
CID 109051684
N-cyclopropyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide
CID 109050733
N-cyclohexyl-4-phenylpiperazine-1-carboxamide
CID 858165
[2-(cyclopentylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109166097
N-cyclohexyl-3-piperazin-1-ylbenzamide
CID 28748940
3-methyl-N-(1-phenylpiperidin-4-yl)benzamide
CID 110735842
N-cyclopentyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109249567
N-butan-2-yl-3-(4-phenylpiperazine-1-carbonyl)benzamide
CID 109051475
N-cycloheptyl-4-oxo-5-(4-phenylpiperazine-1-carbonyl)-1-propan-2-ylpyridine-3-carboxamide
CID 42166830
(3-bromophenyl)-(4-phenylpiperazin-1-yl)methanone
CID 1355446
N-cyclopropyl-3-(3-methylpiperidine-1-carbonyl)benzamide
CID 109050747
3-[4-(4-cyclohexylphenyl)piperazine-1-carbonyl]benzoate
CID 2051794

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(4-phenylpiperazine-1-carbonyl)benzamide?
The IUPAC name of N-cyclohexyl-3-(4-phenylpiperazine-1-carbonyl)benzamide (CID 109052171) is N-cyclohexyl-3-(4-phenylpiperazine-1-carbonyl)benzamide.
What is the SMILES notation for N-cyclohexyl-3-(4-phenylpiperazine-1-carbonyl)benzamide?
The canonical SMILES for N-cyclohexyl-3-(4-phenylpiperazine-1-carbonyl)benzamide is O=C(NC1CCCCC1)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of N-cyclohexyl-3-(4-phenylpiperazine-1-carbonyl)benzamide?
The InChIKey is UBTOCFWCSIIQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c28-23(25-21-10-3-1-4-11-21)19-8-7-9-20(18-19)24(29)27-16-14-26(15-17-27)22-12-5-2-6-13-22/h2,5-9,12-13,18,21H,1,3-4,10-11,14-17H2,(H,25,28).
What are the key properties of N-cyclohexyl-3-(4-phenylpiperazine-1-carbonyl)benzamide?
N-cyclohexyl-3-(4-phenylpiperazine-1-carbonyl)benzamide has a molecular weight of 391.51 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(4-phenylpiperazine-1-carbonyl)benzamide is sourced from PubChem (CID 109052171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).