(4-cycloheptylpiperazin-1-yl)-(3-methoxyphenyl)methanone

C19H28N2O2 — CID 113074909

IUPAC(4-cycloheptylpiperazin-1-yl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCN(C3CCCCCC3)CC2)c1
InChIInChI=1S/C19H28N2O2/c1-23-18-10-6-7-16(15-18)19(22)21-13-11-20(12-14-21)17-8-4-2-3-5-9-17/h6-7,10,15,17H,2-5,8-9,11-14H2,1H3
InChIKeyCJFQSIVIACHRSJ-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.18
Rot. Bonds3

About (4-cycloheptylpiperazin-1-yl)-(3-methoxyphenyl)methanone

(4-cycloheptylpiperazin-1-yl)-(3-methoxyphenyl)methanone (PubChem CID 113074909) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is (4-cycloheptylpiperazin-1-yl)-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4-cycloheptylpiperazin-1-yl)-(3-methoxyphenyl)methanone
PubChem CID113074909
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name(4-cycloheptylpiperazin-1-yl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCN(C3CCCCCC3)CC2)c1
InChIInChI=1S/C19H28N2O2/c1-23-18-10-6-7-16(15-18)19(22)21-13-11-20(12-14-21)17-8-4-2-3-5-9-17/h6-7,10,15,17H,2-5,8-9,11-14H2,1H3
InChIKeyCJFQSIVIACHRSJ-UHFFFAOYSA-N
XLogP3.18
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-cyclopentylpiperazin-1-yl)-(3-methoxyphenyl)methanone;oxalic acid
CID 17366000
(3-methoxyphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868482
[4-[(1S,2S)-2-methoxycyclohexyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 26771859
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
1-[4-[1-(3-methoxybenzoyl)azetidin-3-yl]piperazin-1-yl]ethanone
CID 84579499
[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 1360916
N-cyclohexyl-1-[1-(3-methoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42693267
(4-cyclohexylpiperazin-1-yl)-(3-methoxy-4-methylphenyl)methanone
CID 142234561
(4-cycloheptylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 828765
(4-cyclopentylpiperazin-1-yl)-[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanone
CID 55911978
(4-cyclopentylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 764831
[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 110798483

Frequently Asked Questions

What is the IUPAC name of (4-cycloheptylpiperazin-1-yl)-(3-methoxyphenyl)methanone?
The IUPAC name of (4-cycloheptylpiperazin-1-yl)-(3-methoxyphenyl)methanone (CID 113074909) is (4-cycloheptylpiperazin-1-yl)-(3-methoxyphenyl)methanone.
What is the SMILES notation for (4-cycloheptylpiperazin-1-yl)-(3-methoxyphenyl)methanone?
The canonical SMILES for (4-cycloheptylpiperazin-1-yl)-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2CCN(C3CCCCCC3)CC2)c1.
What is the InChIKey of (4-cycloheptylpiperazin-1-yl)-(3-methoxyphenyl)methanone?
The InChIKey is CJFQSIVIACHRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-23-18-10-6-7-16(15-18)19(22)21-13-11-20(12-14-21)17-8-4-2-3-5-9-17/h6-7,10,15,17H,2-5,8-9,11-14H2,1H3.
What are the key properties of (4-cycloheptylpiperazin-1-yl)-(3-methoxyphenyl)methanone?
(4-cycloheptylpiperazin-1-yl)-(3-methoxyphenyl)methanone has a molecular weight of 316.44 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cycloheptylpiperazin-1-yl)-(3-methoxyphenyl)methanone is sourced from PubChem (CID 113074909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).