4-[[4-(4-chlorobenzoyl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylic acid

C19H24ClN3O4 — CID 122025175

IUPAC4-[[4-(4-chlorobenzoyl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C19H24ClN3O4/c20-15-5-1-13(2-6-15)17(24)22-9-11-23(12-10-22)19(27)21-16-7-3-14(4-8-16)18(25)26/h1-2,5-6,14,16H,3-4,7-12H2,(H,21,27)(H,25,26)
InChIKeyYNSJKHVZNBMXJT-UHFFFAOYSA-N
MW393.87 g/mol
LogP2.45
Rot. Bonds3

About 4-[[4-(4-chlorobenzoyl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylic acid

4-[[4-(4-chlorobenzoyl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 122025175) has the molecular formula C19H24ClN3O4 and a molecular weight of 393.87 g/mol. Its IUPAC name is 4-[[4-(4-chlorobenzoyl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[4-(4-chlorobenzoyl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
PubChem CID122025175
Molecular FormulaC19H24ClN3O4
Molecular Weight393.87 g/mol
Exact Mass393.15
IUPAC Name4-[[4-(4-chlorobenzoyl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C19H24ClN3O4/c20-15-5-1-13(2-6-15)17(24)22-9-11-23(12-10-22)19(27)21-16-7-3-14(4-8-16)18(25)26/h1-2,5-6,14,16H,3-4,7-12H2,(H,21,27)(H,25,26)
InChIKeyYNSJKHVZNBMXJT-UHFFFAOYSA-N
XLogP2.45
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[4-(4-chlorobenzoyl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

1-(4-chlorobenzoyl)-N-cyclopropylpiperidine-4-carboxamide
CID 1072789
[1-(4-chlorobenzoyl)piperidin-4-yl]carbamic acid
CID 154188443
4-[[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122025142
1-[4-(cyclopropylcarbamoyl)benzoyl]piperidine-4-carboxylic acid
CID 120512373
4-[[4-(2,4-difluorobenzoyl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122024888
1-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122000335
[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 110797025
(4-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728657
4-[(4-cyclopropylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61443231
4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673425
4-[4-(morpholine-4-carbonyl)anilino]cyclohexane-1-carboxylic acid
CID 122033820
4-[(7-acetyl-1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122023616

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-chlorobenzoyl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[4-(4-chlorobenzoyl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylic acid (CID 122025175) is 4-[[4-(4-chlorobenzoyl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[4-(4-chlorobenzoyl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[4-(4-chlorobenzoyl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NC(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)CC1.
What is the InChIKey of 4-[[4-(4-chlorobenzoyl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is YNSJKHVZNBMXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O4/c20-15-5-1-13(2-6-15)17(24)22-9-11-23(12-10-22)19(27)21-16-7-3-14(4-8-16)18(25)26/h1-2,5-6,14,16H,3-4,7-12H2,(H,21,27)(H,25,26).
What are the key properties of 4-[[4-(4-chlorobenzoyl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
4-[[4-(4-chlorobenzoyl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 393.87 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-chlorobenzoyl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122025175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).