3-cyclohexyl-1-[(3R)-3-(3,4-dimethoxybenzoyl)piperidin-1-yl]propan-1-one

C23H33NO4 — CID 42346806

IUPAC3-cyclohexyl-1-[(3R)-3-(3,4-dimethoxybenzoyl)piperidin-1-yl]propan-1-one
SMILESCOc1ccc(C(=O)[C@@H]2CCCN(C(=O)CCC3CCCCC3)C2)cc1OC
InChIInChI=1S/C23H33NO4/c1-27-20-12-11-18(15-21(20)28-2)23(26)19-9-6-14-24(16-19)22(25)13-10-17-7-4-3-5-8-17/h11-12,15,17,19H,3-10,13-14,16H2,1-2H3/t19-/m1/s1
InChIKeyDWSRLMAQINEXHJ-LJQANCHMSA-N
MW387.52 g/mol
LogP4.49
Rot. Bonds7

About 3-cyclohexyl-1-[(3R)-3-(3,4-dimethoxybenzoyl)piperidin-1-yl]propan-1-one

3-cyclohexyl-1-[(3R)-3-(3,4-dimethoxybenzoyl)piperidin-1-yl]propan-1-one (PubChem CID 42346806) has the molecular formula C23H33NO4 and a molecular weight of 387.52 g/mol. Its IUPAC name is 3-cyclohexyl-1-[(3R)-3-(3,4-dimethoxybenzoyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclohexyl-1-[(3R)-3-(3,4-dimethoxybenzoyl)piperidin-1-yl]propan-1-one
PubChem CID42346806
Molecular FormulaC23H33NO4
Molecular Weight387.52 g/mol
Exact Mass387.24
IUPAC Name3-cyclohexyl-1-[(3R)-3-(3,4-dimethoxybenzoyl)piperidin-1-yl]propan-1-one
SMILESCOc1ccc(C(=O)[C@@H]2CCCN(C(=O)CCC3CCCCC3)C2)cc1OC
InChIInChI=1S/C23H33NO4/c1-27-20-12-11-18(15-21(20)28-2)23(26)19-9-6-14-24(16-19)22(25)13-10-17-7-4-3-5-8-17/h11-12,15,17,19H,3-10,13-14,16H2,1-2H3/t19-/m1/s1
InChIKeyDWSRLMAQINEXHJ-LJQANCHMSA-N
XLogP4.49
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S)-3-(3,4-dimethoxybenzoyl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 42192818
(3,4-dimethoxyphenyl)-[1-(3-fluoro-4-methoxybenzoyl)piperidin-3-yl]methanone
CID 45188321
1-[3-(3-fluoro-4-methoxybenzoyl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 56898677
methyl 1-(3-cyclopentylpropanoyl)piperidine-3-carboxylate
CID 78919049
(3,4-dimethoxyphenyl)-[(3S)-1-(2-hydroxy-4-methylbenzoyl)piperidin-3-yl]methanone
CID 95711372
(3,4-dimethoxyphenyl)-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-3-yl]methanone
CID 72908092
1-[(3R)-3-(3-fluoro-4-methoxybenzoyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 26396616
1-[(3S)-3-(3-fluoro-4-methoxybenzoyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 26396619
(3,4-dimethoxyphenyl)-[(3S)-1-[(2,6-dimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 25379647
[4-(2-cyclohexylethyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 168948500
tert-butyl 3-(4-methoxy-3-methylbenzoyl)piperidine-1-carboxylate
CID 122359770
N'-(3-cyclohexylpropanoyl)-3,4-dimethoxybenzohydrazide
CID 24645321

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[(3R)-3-(3,4-dimethoxybenzoyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-cyclohexyl-1-[(3R)-3-(3,4-dimethoxybenzoyl)piperidin-1-yl]propan-1-one (CID 42346806) is 3-cyclohexyl-1-[(3R)-3-(3,4-dimethoxybenzoyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclohexyl-1-[(3R)-3-(3,4-dimethoxybenzoyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclohexyl-1-[(3R)-3-(3,4-dimethoxybenzoyl)piperidin-1-yl]propan-1-one is COc1ccc(C(=O)[C@@H]2CCCN(C(=O)CCC3CCCCC3)C2)cc1OC.
What is the InChIKey of 3-cyclohexyl-1-[(3R)-3-(3,4-dimethoxybenzoyl)piperidin-1-yl]propan-1-one?
The InChIKey is DWSRLMAQINEXHJ-LJQANCHMSA-N. The full InChI is InChI=1S/C23H33NO4/c1-27-20-12-11-18(15-21(20)28-2)23(26)19-9-6-14-24(16-19)22(25)13-10-17-7-4-3-5-8-17/h11-12,15,17,19H,3-10,13-14,16H2,1-2H3/t19-/m1/s1.
What are the key properties of 3-cyclohexyl-1-[(3R)-3-(3,4-dimethoxybenzoyl)piperidin-1-yl]propan-1-one?
3-cyclohexyl-1-[(3R)-3-(3,4-dimethoxybenzoyl)piperidin-1-yl]propan-1-one has a molecular weight of 387.52 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[(3R)-3-(3,4-dimethoxybenzoyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 42346806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).