2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid

C19H26N2O4 — CID 3696212

IUPAC2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
SMILESCOc1cccc(N2CCN(C(=O)C3CCCCC3C(=O)O)CC2)c1
InChIInChI=1S/C19H26N2O4/c1-25-15-6-4-5-14(13-15)20-9-11-21(12-10-20)18(22)16-7-2-3-8-17(16)19(23)24/h4-6,13,16-17H,2-3,7-12H2,1H3,(H,23,24)
InChIKeyNKDCJCYEVJIQLK-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.23
Rot. Bonds4

About 2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid

2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid (PubChem CID 3696212) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
PubChem CID3696212
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
SMILESCOc1cccc(N2CCN(C(=O)C3CCCCC3C(=O)O)CC2)c1
InChIInChI=1S/C19H26N2O4/c1-25-15-6-4-5-14(13-15)20-9-11-21(12-10-20)18(22)16-7-2-3-8-17(16)19(23)24/h4-6,13,16-17H,2-3,7-12H2,1H3,(H,23,24)
InChIKeyNKDCJCYEVJIQLK-UHFFFAOYSA-N
XLogP2.23
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 2933500
cis-(1R,2S)-2-[4-[2-(3-methoxyphenoxy)ethyl]piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 24984707
(1S,2S,3S,4R)-3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 27519473
3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 17379074
1-[(2S)-2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 94670838
(4-cyclohexylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 46562920
(1S,2S,3S,4S)-3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 23306855
[(1S,3S)-3-aminocyclopentyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 124691079
[4-(3-methoxyphenyl)piperazin-1-yl]-[1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidin-4-yl]methanone
CID 50771965
2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119181198
2-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120975160
cis-(1R,2S)-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 873866

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid (CID 3696212) is 2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid is COc1cccc(N2CCN(C(=O)C3CCCCC3C(=O)O)CC2)c1.
What is the InChIKey of 2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid?
The InChIKey is NKDCJCYEVJIQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-25-15-6-4-5-14(13-15)20-9-11-21(12-10-20)18(22)16-7-2-3-8-17(16)19(23)24/h4-6,13,16-17H,2-3,7-12H2,1H3,(H,23,24).
What are the key properties of 2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid?
2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid has a molecular weight of 346.43 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 3696212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).