cyclohexyl-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methanone

C19H29N3O — CID 113078713

IUPACcyclohexyl-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methanone
SMILESCN(C)c1ccc(N2CCN(C(=O)C3CCCCC3)CC2)cc1
InChIInChI=1S/C19H29N3O/c1-20(2)17-8-10-18(11-9-17)21-12-14-22(15-13-21)19(23)16-6-4-3-5-7-16/h8-11,16H,3-7,12-15H2,1-2H3
InChIKeyZEEYFNAYGQRHOD-UHFFFAOYSA-N
MW315.46 g/mol
LogP2.98
Rot. Bonds3

About cyclohexyl-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methanone

cyclohexyl-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methanone (PubChem CID 113078713) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is cyclohexyl-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methanone
PubChem CID113078713
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Namecyclohexyl-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methanone
SMILESCN(C)c1ccc(N2CCN(C(=O)C3CCCCC3)CC2)cc1
InChIInChI=1S/C19H29N3O/c1-20(2)17-8-10-18(11-9-17)21-12-14-22(15-13-21)19(23)16-6-4-3-5-7-16/h8-11,16H,3-7,12-15H2,1-2H3
InChIKeyZEEYFNAYGQRHOD-UHFFFAOYSA-N
XLogP2.98
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cyclobutyl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113079016
cyclohexyl-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 78777393
cyclobutyl-[4-[4-(diethylamino)phenyl]piperazin-1-yl]methanone
CID 113078868
cyclobutyl-[4-[4-(4-methylpiperidin-1-yl)phenyl]piperazin-1-yl]methanone
CID 113079073
cyclopropyl-[4-[3-(dimethylamino)phenyl]piperazin-1-yl]methanone
CID 110478194
N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]cyclobutanecarboxamide
CID 1055992
5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1H-pyridin-2-one
CID 110735913
4-[4-(dimethylamino)phenyl]piperazine-1-carboxamide
CID 155453460
4-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]benzamide
CID 68550560
[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-cyclohexylmethanone
CID 113079595
cyclohexyl-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]methanone
CID 110363777
4-(azepane-1-carbonyl)-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 109150257

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methanone (CID 113078713) is cyclohexyl-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methanone is CN(C)c1ccc(N2CCN(C(=O)C3CCCCC3)CC2)cc1.
What is the InChIKey of cyclohexyl-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methanone?
The InChIKey is ZEEYFNAYGQRHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-20(2)17-8-10-18(11-9-17)21-12-14-22(15-13-21)19(23)16-6-4-3-5-7-16/h8-11,16H,3-7,12-15H2,1-2H3.
What are the key properties of cyclohexyl-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methanone?
cyclohexyl-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methanone has a molecular weight of 315.46 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methanone is sourced from PubChem (CID 113078713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).