cyclohexyl-[4-(4-methylbenzoyl)piperazin-1-yl]methanone

C19H26N2O2 — CID 110346969

IUPACcyclohexyl-[4-(4-methylbenzoyl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(C(=O)C3CCCCC3)CC2)cc1
InChIInChI=1S/C19H26N2O2/c1-15-7-9-17(10-8-15)19(23)21-13-11-20(12-14-21)18(22)16-5-3-2-4-6-16/h7-10,16H,2-6,11-14H2,1H3
InChIKeySJDDXYCISLSTNM-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.86
Rot. Bonds2

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

cyclohexyl-[4-(4-methylbenzoyl)piperazin-1-yl]methanone (PubChem CID 110346969) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is cyclohexyl-[4-(4-methylbenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-(4-methylbenzoyl)piperazin-1-yl]methanone
PubChem CID110346969
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Namecyclohexyl-[4-(4-methylbenzoyl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(C(=O)C3CCCCC3)CC2)cc1
InChIInChI=1S/C19H26N2O2/c1-15-7-9-17(10-8-15)19(23)21-13-11-20(12-14-21)18(22)16-5-3-2-4-6-16/h7-10,16H,2-6,11-14H2,1H3
InChIKeySJDDXYCISLSTNM-UHFFFAOYSA-N
XLogP2.86
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexyl-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110797446
4-[4-(4-methylbenzoyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120672880
[1-(4-methylbenzoyl)piperidin-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 118775973
cyclopentyl-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone
CID 84546397
ethane;(4-methylphenyl)-piperidin-1-ylmethanone
CID 142182120
cyclohexyl-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110801056
[1-(4-methylbenzoyl)piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 94861219
(3S)-1-[1-(4-methylbenzoyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119136477
cyclohexyl-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]methanone
CID 110801028
cyclobutyl-[4-(4-methylsulfonylbenzoyl)piperazin-1-yl]methanone
CID 110803821
[4-(methylamino)piperidin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone;hydrochloride
CID 119563251
methyl 1-[1-(4-methylbenzoyl)piperidine-3-carbonyl]piperidine-4-carboxylate
CID 47027047

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-(4-methylbenzoyl)piperazin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-(4-methylbenzoyl)piperazin-1-yl]methanone (CID 110346969) is cyclohexyl-[4-(4-methylbenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-(4-methylbenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-(4-methylbenzoyl)piperazin-1-yl]methanone is Cc1ccc(C(=O)N2CCN(C(=O)C3CCCCC3)CC2)cc1.
What is the InChIKey of cyclohexyl-[4-(4-methylbenzoyl)piperazin-1-yl]methanone?
The InChIKey is SJDDXYCISLSTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-15-7-9-17(10-8-15)19(23)21-13-11-20(12-14-21)18(22)16-5-3-2-4-6-16/h7-10,16H,2-6,11-14H2,1H3.
What are the key properties of cyclohexyl-[4-(4-methylbenzoyl)piperazin-1-yl]methanone?
cyclohexyl-[4-(4-methylbenzoyl)piperazin-1-yl]methanone has a molecular weight of 314.43 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-(4-methylbenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110346969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).