(4-propan-2-ylphenyl) 1-(4-chlorobenzoyl)piperidine-4-carboxylate

C22H24ClNO3 — CID 18228909

IUPAC(4-propan-2-ylphenyl) 1-(4-chlorobenzoyl)piperidine-4-carboxylate
SMILESCC(C)c1ccc(OC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C22H24ClNO3/c1-15(2)16-5-9-20(10-6-16)27-22(26)18-11-13-24(14-12-18)21(25)17-3-7-19(23)8-4-17/h3-10,15,18H,11-14H2,1-2H3
InChIKeyIPBVZCJYRLAESG-UHFFFAOYSA-N
MW385.89 g/mol
LogP4.92
Rot. Bonds4

About (4-propan-2-ylphenyl) 1-(4-chlorobenzoyl)piperidine-4-carboxylate

(4-propan-2-ylphenyl) 1-(4-chlorobenzoyl)piperidine-4-carboxylate (PubChem CID 18228909) has the molecular formula C22H24ClNO3 and a molecular weight of 385.89 g/mol. Its IUPAC name is (4-propan-2-ylphenyl) 1-(4-chlorobenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name(4-propan-2-ylphenyl) 1-(4-chlorobenzoyl)piperidine-4-carboxylate
PubChem CID18228909
Molecular FormulaC22H24ClNO3
Molecular Weight385.89 g/mol
Exact Mass385.14
IUPAC Name(4-propan-2-ylphenyl) 1-(4-chlorobenzoyl)piperidine-4-carboxylate
SMILESCC(C)c1ccc(OC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C22H24ClNO3/c1-15(2)16-5-9-20(10-6-16)27-22(26)18-11-13-24(14-12-18)21(25)17-3-7-19(23)8-4-17/h3-10,15,18H,11-14H2,1-2H3
InChIKeyIPBVZCJYRLAESG-UHFFFAOYSA-N
XLogP4.92
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.89
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-ethylsulfanylphenyl) 1-(4-chlorobenzoyl)piperidine-4-carboxylate
CID 58649395
(4-propan-2-ylphenyl) 1-(2-methylpropanoyl)piperidine-4-carboxylate
CID 86921159
(4-aminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 18071748
[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate
CID 16550879
azepan-1-yl-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]methanone
CID 55408103
[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate
CID 8635136
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate
CID 8635137
(4-chlorophenyl) 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 27844069
(4-ethylsulfanylphenyl) 1-(4-methoxybenzoyl)piperidine-4-carboxylate
CID 58649393
[4-(4-chlorophenyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 2169854
1-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-2-(4-propan-2-ylphenoxy)propan-1-one
CID 108544785
(4-methylpiperazin-1-yl)-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]methanone
CID 130315888

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylphenyl) 1-(4-chlorobenzoyl)piperidine-4-carboxylate?
The IUPAC name of (4-propan-2-ylphenyl) 1-(4-chlorobenzoyl)piperidine-4-carboxylate (CID 18228909) is (4-propan-2-ylphenyl) 1-(4-chlorobenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for (4-propan-2-ylphenyl) 1-(4-chlorobenzoyl)piperidine-4-carboxylate?
The canonical SMILES for (4-propan-2-ylphenyl) 1-(4-chlorobenzoyl)piperidine-4-carboxylate is CC(C)c1ccc(OC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of (4-propan-2-ylphenyl) 1-(4-chlorobenzoyl)piperidine-4-carboxylate?
The InChIKey is IPBVZCJYRLAESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClNO3/c1-15(2)16-5-9-20(10-6-16)27-22(26)18-11-13-24(14-12-18)21(25)17-3-7-19(23)8-4-17/h3-10,15,18H,11-14H2,1-2H3.
What are the key properties of (4-propan-2-ylphenyl) 1-(4-chlorobenzoyl)piperidine-4-carboxylate?
(4-propan-2-ylphenyl) 1-(4-chlorobenzoyl)piperidine-4-carboxylate has a molecular weight of 385.89 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylphenyl) 1-(4-chlorobenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 18228909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).