4-[[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid

C19H25ClN2O4 — CID 122024164

IUPAC4-[[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)N2CCC(O)(c3ccccc3Cl)CC2)CC1
InChIInChI=1S/C19H25ClN2O4/c20-16-4-2-1-3-15(16)19(26)9-11-22(12-10-19)18(25)21-14-7-5-13(6-8-14)17(23)24/h1-4,13-14,26H,5-12H2,(H,21,25)(H,23,24)
InChIKeyCOXWXOHQFNZMBV-UHFFFAOYSA-N
MW380.87 g/mol
LogP2.98
Rot. Bonds3

About 4-[[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid

4-[[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 122024164) has the molecular formula C19H25ClN2O4 and a molecular weight of 380.87 g/mol. Its IUPAC name is 4-[[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
PubChem CID122024164
Molecular FormulaC19H25ClN2O4
Molecular Weight380.87 g/mol
Exact Mass380.15
IUPAC Name4-[[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)N2CCC(O)(c3ccccc3Cl)CC2)CC1
InChIInChI=1S/C19H25ClN2O4/c20-16-4-2-1-3-15(16)19(26)9-11-22(12-10-19)18(25)21-14-7-5-13(6-8-14)17(23)24/h1-4,13-14,26H,5-12H2,(H,21,25)(H,23,24)
InChIKeyCOXWXOHQFNZMBV-UHFFFAOYSA-N
XLogP2.98
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.87
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(3-chlorophenyl)-4-methylpiperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122024099
4-[(4,4-dimethyl-1,3-dihydroisoquinoline-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122023627
4-[[1-(2-chlorophenyl)cyclopropyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122008314
4-[[4-(4-chlorobenzoyl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122025175
4-[[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023830
4-(2-chlorophenyl)-1-phenylpiperidin-4-ol
CID 106820839
4-(piperazine-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 19391498
4-(2-chlorophenyl)-4-hydroxy-N-[(2S,3S)-3-methoxybutan-2-yl]piperidine-1-carboxamide
CID 99836702
4-(5,7-dihydrobenzo[d][2]benzazepine-6-carbonylamino)cyclohexane-1-carboxylic acid
CID 122024905
4-(2-chlorophenyl)-N-cyclopentylpiperazine-1-carboxamide
CID 17412310
4-[(3-benzylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122023397
4-[(4-benzyl-3,3-dimethylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122024819

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid (CID 122024164) is 4-[[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NC(=O)N2CCC(O)(c3ccccc3Cl)CC2)CC1.
What is the InChIKey of 4-[[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is COXWXOHQFNZMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O4/c20-16-4-2-1-3-15(16)19(26)9-11-22(12-10-19)18(25)21-14-7-5-13(6-8-14)17(23)24/h1-4,13-14,26H,5-12H2,(H,21,25)(H,23,24).
What are the key properties of 4-[[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
4-[[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 380.87 g/mol, XLogP of 2.98, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122024164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).