(2-methoxyphenyl)-[4-[(1R,3S)-3-methylcyclohexyl]piperazin-1-yl]methanone

C19H28N2O2 — CID 796507

IUPAC(2-methoxyphenyl)-[4-[(1R,3S)-3-methylcyclohexyl]piperazin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCN([C@@H]2CCC[C@H](C)C2)CC1
InChIInChI=1S/C19H28N2O2/c1-15-6-5-7-16(14-15)20-10-12-21(13-11-20)19(22)17-8-3-4-9-18(17)23-2/h3-4,8-9,15-16H,5-7,10-14H2,1-2H3/t15-,16+/m0/s1
InChIKeySQUUOBNSBPLQNM-JKSUJKDBSA-N
MW316.44 g/mol
LogP3.03
Rot. Bonds3

About (2-methoxyphenyl)-[4-[(1R,3S)-3-methylcyclohexyl]piperazin-1-yl]methanone

(2-methoxyphenyl)-[4-[(1R,3S)-3-methylcyclohexyl]piperazin-1-yl]methanone (PubChem CID 796507) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is (2-methoxyphenyl)-[4-[(1R,3S)-3-methylcyclohexyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[4-[(1R,3S)-3-methylcyclohexyl]piperazin-1-yl]methanone
PubChem CID796507
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name(2-methoxyphenyl)-[4-[(1R,3S)-3-methylcyclohexyl]piperazin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCN([C@@H]2CCC[C@H](C)C2)CC1
InChIInChI=1S/C19H28N2O2/c1-15-6-5-7-16(14-15)20-10-12-21(13-11-20)19(22)17-8-3-4-9-18(17)23-2/h3-4,8-9,15-16H,5-7,10-14H2,1-2H3/t15-,16+/m0/s1
InChIKeySQUUOBNSBPLQNM-JKSUJKDBSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-methoxyphenyl)-[4-[(1R,3S)-3-methylcyclohexyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

(4-cyclopentylpiperazin-1-yl)-(2-methoxyphenyl)methanone
CID 796432
(2,6-dimethoxyphenyl)-[4-(3-methylcyclohexyl)piperazin-1-yl]methanone
CID 3150586
(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 5149560
furan-2-yl-[4-[(1R,3R)-3-methylcyclohexyl]piperazin-1-yl]methanone
CID 764347
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]ethanone
CID 57442807
[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 45187407
(4-cyclopentylpiperazin-1-yl)-(2,4,5-trimethoxyphenyl)methanone
CID 134020580
2-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-oxoacetamide
CID 68776678
[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 110814937
[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(2-methoxyphenyl)methanone
CID 95751553
1-[4-(3-methylcyclohexyl)piperazin-1-yl]-2-phenylethanone;oxalic acid
CID 17366301
(3S)-3-[4-(2-methoxybenzoyl)piperazin-1-yl]-1-(oxan-4-yl)piperidin-2-one
CID 97342882

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[4-[(1R,3S)-3-methylcyclohexyl]piperazin-1-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[4-[(1R,3S)-3-methylcyclohexyl]piperazin-1-yl]methanone (CID 796507) is (2-methoxyphenyl)-[4-[(1R,3S)-3-methylcyclohexyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[4-[(1R,3S)-3-methylcyclohexyl]piperazin-1-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[4-[(1R,3S)-3-methylcyclohexyl]piperazin-1-yl]methanone is COc1ccccc1C(=O)N1CCN([C@@H]2CCC[C@H](C)C2)CC1.
What is the InChIKey of (2-methoxyphenyl)-[4-[(1R,3S)-3-methylcyclohexyl]piperazin-1-yl]methanone?
The InChIKey is SQUUOBNSBPLQNM-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-15-6-5-7-16(14-15)20-10-12-21(13-11-20)19(22)17-8-3-4-9-18(17)23-2/h3-4,8-9,15-16H,5-7,10-14H2,1-2H3/t15-,16+/m0/s1.
What are the key properties of (2-methoxyphenyl)-[4-[(1R,3S)-3-methylcyclohexyl]piperazin-1-yl]methanone?
(2-methoxyphenyl)-[4-[(1R,3S)-3-methylcyclohexyl]piperazin-1-yl]methanone has a molecular weight of 316.44 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[4-[(1R,3S)-3-methylcyclohexyl]piperazin-1-yl]methanone is sourced from PubChem (CID 796507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).