N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide

C24H29N3O2 — CID 2988050

IUPACN-[2-(4-phenylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1)C1CCCCC1
InChIInChI=1S/C24H29N3O2/c28-23(19-9-3-1-4-10-19)25-22-14-8-7-13-21(22)24(29)27-17-15-26(16-18-27)20-11-5-2-6-12-20/h2,5-8,11-14,19H,1,3-4,9-10,15-18H2,(H,25,28)
InChIKeyADQZMDFMWIIERT-UHFFFAOYSA-N
MW391.51 g/mol
LogP4.17
Rot. Bonds4

About N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide

N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide (PubChem CID 2988050) has the molecular formula C24H29N3O2 and a molecular weight of 391.51 g/mol. Its IUPAC name is N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-phenylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide
PubChem CID2988050
Molecular FormulaC24H29N3O2
Molecular Weight391.51 g/mol
Exact Mass391.23
IUPAC NameN-[2-(4-phenylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1)C1CCCCC1
InChIInChI=1S/C24H29N3O2/c28-23(19-9-3-1-4-10-19)25-22-14-8-7-13-21(22)24(29)27-17-15-26(16-18-27)20-11-5-2-6-12-20/h2,5-8,11-14,19H,1,3-4,9-10,15-18H2,(H,25,28)
InChIKeyADQZMDFMWIIERT-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide
CID 4943642
N-[2-(4-methylpiperidine-1-carbonyl)phenyl]cyclohexanecarboxamide
CID 4939416
(2S)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide
CID 27151651
2-(cycloheptanecarbonylamino)benzoic acid
CID 55091870
trans-(1S,2S)-2-[[2-[4-(4-methylphenyl)piperazine-1-carbonyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 981916
(1S,6S)-6-[[2-(4-phenylpiperazine-1-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 981989
(1R,6R)-6-[[2-(4-phenylpiperazine-1-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 981987
N-[2-(azepane-1-carbonyl)phenyl]-1-methylpiperidine-4-carboxamide
CID 99970642
1-methyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 99817673
N-[4-(4-benzoylpiperazin-1-yl)phenyl]cyclopentanecarboxamide
CID 1055927
2-fluoro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide
CID 4309952
(3R)-1-(2-methylphenyl)-5-oxo-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 41168785

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide (CID 2988050) is N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide is O=C(Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1)C1CCCCC1.
What is the InChIKey of N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide?
The InChIKey is ADQZMDFMWIIERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c28-23(19-9-3-1-4-10-19)25-22-14-8-7-13-21(22)24(29)27-17-15-26(16-18-27)20-11-5-2-6-12-20/h2,5-8,11-14,19H,1,3-4,9-10,15-18H2,(H,25,28).
What are the key properties of N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide?
N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide has a molecular weight of 391.51 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 2988050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).