cyclohexyl-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone

C23H35N3O2 — CID 42567976

IUPACcyclohexyl-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
SMILESCOc1ccccc1N1CCN([C@@H]2CCCN(C(=O)C3CCCCC3)C2)CC1
InChIInChI=1S/C23H35N3O2/c1-28-22-12-6-5-11-21(22)25-16-14-24(15-17-25)20-10-7-13-26(18-20)23(27)19-8-3-2-4-9-19/h5-6,11-12,19-20H,2-4,7-10,13-18H2,1H3/t20-/m1/s1
InChIKeyRGAYAWYDXQYBGN-HXUWFJFHSA-N
MW385.55 g/mol
LogP3.39
Rot. Bonds4

About cyclohexyl-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone

cyclohexyl-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone (PubChem CID 42567976) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is cyclohexyl-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
PubChem CID42567976
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC Namecyclohexyl-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
SMILESCOc1ccccc1N1CCN([C@@H]2CCCN(C(=O)C3CCCCC3)C2)CC1
InChIInChI=1S/C23H35N3O2/c1-28-22-12-6-5-11-21(22)25-16-14-24(15-17-25)20-10-7-13-26(18-20)23(27)19-8-3-2-4-9-19/h5-6,11-12,19-20H,2-4,7-10,13-18H2,1H3/t20-/m1/s1
InChIKeyRGAYAWYDXQYBGN-HXUWFJFHSA-N
XLogP3.39
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclobutyl-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 24719059
[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 42101485
[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 45175750
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]ethanone
CID 24719056
cyclopentyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4084330
(2-chlorophenyl)-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 25288079
[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 45236764
(Z)-2-fluoro-1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 42532617
1-[(3R)-1-cyclobutylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 92709243
1-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 42519173
(1,5-dimethylpyrazol-3-yl)-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 45181195
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-(4-methylsulfanylphenyl)ethanone
CID 45249744

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone (CID 42567976) is cyclohexyl-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone is COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)C3CCCCC3)C2)CC1.
What is the InChIKey of cyclohexyl-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone?
The InChIKey is RGAYAWYDXQYBGN-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-28-22-12-6-5-11-21(22)25-16-14-24(15-17-25)20-10-7-13-26(18-20)23(27)19-8-3-2-4-9-19/h5-6,11-12,19-20H,2-4,7-10,13-18H2,1H3/t20-/m1/s1.
What are the key properties of cyclohexyl-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone?
cyclohexyl-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone has a molecular weight of 385.55 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 42567976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).