N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]-3,5-dimethoxybenzamide

C26H33N3O4 — CID 1055982

IUPACN-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(N3CCN(C(=O)C4CCCCC4)CC3)cc2)c1
InChIInChI=1S/C26H33N3O4/c1-32-23-16-20(17-24(18-23)33-2)25(30)27-21-8-10-22(11-9-21)28-12-14-29(15-13-28)26(31)19-6-4-3-5-7-19/h8-11,16-19H,3-7,12-15H2,1-2H3,(H,27,30)
InChIKeyFUXNBYALAJXQFP-UHFFFAOYSA-N
MW451.57 g/mol
LogP4.18
Rot. Bonds6

About N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]-3,5-dimethoxybenzamide

N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]-3,5-dimethoxybenzamide (PubChem CID 1055982) has the molecular formula C26H33N3O4 and a molecular weight of 451.57 g/mol. Its IUPAC name is N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]-3,5-dimethoxybenzamide
PubChem CID1055982
Molecular FormulaC26H33N3O4
Molecular Weight451.57 g/mol
Exact Mass451.25
IUPAC NameN-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(N3CCN(C(=O)C4CCCCC4)CC3)cc2)c1
InChIInChI=1S/C26H33N3O4/c1-32-23-16-20(17-24(18-23)33-2)25(30)27-21-8-10-22(11-9-21)28-12-14-29(15-13-28)26(31)19-6-4-3-5-7-19/h8-11,16-19H,3-7,12-15H2,1-2H3,(H,27,30)
InChIKeyFUXNBYALAJXQFP-UHFFFAOYSA-N
XLogP4.18
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethoxy-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 2947044
N-[4-(cycloheptylamino)phenyl]-3,5-dimethoxybenzamide
CID 112984993
N-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]phenyl]-5,7-dimethoxy-4-oxochromene-2-carboxamide
CID 172651943
N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]cyclobutanecarboxamide
CID 1055992
N-[4-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]phenyl]-4-iodobenzamide
CID 17127949
N-[4-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]phenyl]-3,4-dimethylbenzamide
CID 17127932
3,4-dichloro-N-[4-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]phenyl]benzamide
CID 17127951
N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-3-methylbenzamide
CID 112502797
4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3,4-dimethylphenyl)benzamide
CID 110418111
cyclohexyl-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]methanone
CID 110363777
N-[4-(4-benzylpiperazin-1-yl)phenyl]-3,5-dimethoxybenzamide
CID 1394950
2-bromo-N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]benzamide
CID 1055999

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]-3,5-dimethoxybenzamide (CID 1055982) is N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2ccc(N3CCN(C(=O)C4CCCCC4)CC3)cc2)c1.
What is the InChIKey of N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]-3,5-dimethoxybenzamide?
The InChIKey is FUXNBYALAJXQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4/c1-32-23-16-20(17-24(18-23)33-2)25(30)27-21-8-10-22(11-9-21)28-12-14-29(15-13-28)26(31)19-6-4-3-5-7-19/h8-11,16-19H,3-7,12-15H2,1-2H3,(H,27,30).
What are the key properties of N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]-3,5-dimethoxybenzamide?
N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]-3,5-dimethoxybenzamide has a molecular weight of 451.57 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 1055982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).