(4-cyclohexylpiperazin-1-yl)-(2,4-dimethoxyphenyl)methanone

C19H28N2O3 — CID 1247755

IUPAC(4-cyclohexylpiperazin-1-yl)-(2,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)c(OC)c1
InChIInChI=1S/C19H28N2O3/c1-23-16-8-9-17(18(14-16)24-2)19(22)21-12-10-20(11-13-21)15-6-4-3-5-7-15/h8-9,14-15H,3-7,10-13H2,1-2H3
InChIKeyDPVVYPQIIZSSEG-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.79
Rot. Bonds4

About (4-cyclohexylpiperazin-1-yl)-(2,4-dimethoxyphenyl)methanone

(4-cyclohexylpiperazin-1-yl)-(2,4-dimethoxyphenyl)methanone (PubChem CID 1247755) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is (4-cyclohexylpiperazin-1-yl)-(2,4-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(4-cyclohexylpiperazin-1-yl)-(2,4-dimethoxyphenyl)methanone
PubChem CID1247755
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name(4-cyclohexylpiperazin-1-yl)-(2,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)c(OC)c1
InChIInChI=1S/C19H28N2O3/c1-23-16-8-9-17(18(14-16)24-2)19(22)21-12-10-20(11-13-21)15-6-4-3-5-7-15/h8-9,14-15H,3-7,10-13H2,1-2H3
InChIKeyDPVVYPQIIZSSEG-UHFFFAOYSA-N
XLogP2.79
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylpiperazin-1-yl)-(2,4-dimethoxyphenyl)methanone?
The IUPAC name of (4-cyclohexylpiperazin-1-yl)-(2,4-dimethoxyphenyl)methanone (CID 1247755) is (4-cyclohexylpiperazin-1-yl)-(2,4-dimethoxyphenyl)methanone.
What is the SMILES notation for (4-cyclohexylpiperazin-1-yl)-(2,4-dimethoxyphenyl)methanone?
The canonical SMILES for (4-cyclohexylpiperazin-1-yl)-(2,4-dimethoxyphenyl)methanone is COc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)c(OC)c1.
What is the InChIKey of (4-cyclohexylpiperazin-1-yl)-(2,4-dimethoxyphenyl)methanone?
The InChIKey is DPVVYPQIIZSSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-23-16-8-9-17(18(14-16)24-2)19(22)21-12-10-20(11-13-21)15-6-4-3-5-7-15/h8-9,14-15H,3-7,10-13H2,1-2H3.
What are the key properties of (4-cyclohexylpiperazin-1-yl)-(2,4-dimethoxyphenyl)methanone?
(4-cyclohexylpiperazin-1-yl)-(2,4-dimethoxyphenyl)methanone has a molecular weight of 332.44 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylpiperazin-1-yl)-(2,4-dimethoxyphenyl)methanone is sourced from PubChem (CID 1247755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).