cyclohexyl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone

C19H28N2O2 — CID 110398878

IUPACcyclohexyl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESCOc1ccc(CN2CCN(C(=O)C3CCCCC3)CC2)cc1
InChIInChI=1S/C19H28N2O2/c1-23-18-9-7-16(8-10-18)15-20-11-13-21(14-12-20)19(22)17-5-3-2-4-6-17/h7-10,17H,2-6,11-15H2,1H3
InChIKeyCUIOZNKBRVWUEB-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.92
Rot. Bonds4

About cyclohexyl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone

cyclohexyl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 110398878) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is cyclohexyl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
PubChem CID110398878
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Namecyclohexyl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESCOc1ccc(CN2CCN(C(=O)C3CCCCC3)CC2)cc1
InChIInChI=1S/C19H28N2O2/c1-23-18-9-7-16(8-10-18)15-20-11-13-21(14-12-20)19(22)17-5-3-2-4-6-17/h7-10,17H,2-6,11-15H2,1H3
InChIKeyCUIOZNKBRVWUEB-UHFFFAOYSA-N
XLogP2.92
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanone
CID 3409585
[(3S)-1,1-dioxothiolan-3-yl]-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 9077328
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110364752
[1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 25455222
[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;oxalic acid
CID 662630
cyclohexyl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 78798588
[(9aR)-2-[(4-methoxyphenyl)methyl]-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-8-yl]-cyclopentylmethanone
CID 124878577
(E)-1-[4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carbonyl]piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 46524510
3-[[4-(cyclohexanecarbonyl)piperazin-1-yl]methyl]-7-methoxy-1H-quinolin-2-one
CID 110363209
(4-benzyl-1,4-diazepan-1-yl)-cyclopentylmethanone
CID 23939190
(4,4-difluoropiperidin-1-yl)-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 163357915
1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 110398874

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone (CID 110398878) is cyclohexyl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone is COc1ccc(CN2CCN(C(=O)C3CCCCC3)CC2)cc1.
What is the InChIKey of cyclohexyl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is CUIOZNKBRVWUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-23-18-9-7-16(8-10-18)15-20-11-13-21(14-12-20)19(22)17-5-3-2-4-6-17/h7-10,17H,2-6,11-15H2,1H3.
What are the key properties of cyclohexyl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone?
cyclohexyl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 316.44 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 110398878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).