(4-chlorophenyl) 1-(thiophene-2-carbonyl)piperidine-4-carboxylate

C17H16ClNO3S — CID 27844069

IUPAC(4-chlorophenyl) 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
SMILESO=C(Oc1ccc(Cl)cc1)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C17H16ClNO3S/c18-13-3-5-14(6-4-13)22-17(21)12-7-9-19(10-8-12)16(20)15-2-1-11-23-15/h1-6,11-12H,7-10H2
InChIKeyRPHYGSAYSPHEPG-UHFFFAOYSA-N
MW349.84 g/mol
LogP3.86
Rot. Bonds3

About (4-chlorophenyl) 1-(thiophene-2-carbonyl)piperidine-4-carboxylate

(4-chlorophenyl) 1-(thiophene-2-carbonyl)piperidine-4-carboxylate (PubChem CID 27844069) has the molecular formula C17H16ClNO3S and a molecular weight of 349.84 g/mol. Its IUPAC name is (4-chlorophenyl) 1-(thiophene-2-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name(4-chlorophenyl) 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
PubChem CID27844069
Molecular FormulaC17H16ClNO3S
Molecular Weight349.84 g/mol
Exact Mass349.05
IUPAC Name(4-chlorophenyl) 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
SMILESO=C(Oc1ccc(Cl)cc1)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C17H16ClNO3S/c18-13-3-5-14(6-4-13)22-17(21)12-7-9-19(10-8-12)16(20)15-2-1-11-23-15/h1-6,11-12H,7-10H2
InChIKeyRPHYGSAYSPHEPG-UHFFFAOYSA-N
XLogP3.86
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(tetrazol-1-yl)phenyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 39964664
dibenzofuran-2-yl 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 32991028
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 33188030
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 750217
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 55751666
(4-propan-2-ylphenyl) 1-(4-chlorobenzoyl)piperidine-4-carboxylate
CID 18228909
(4-methoxyphenyl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 25474112
N-[1-(4-chlorophenyl)ethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 42951798
[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-thiophen-2-ylmethanone
CID 4744215
N-(3-chloro-4-fluorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075518
[4-(2-chlorophenyl)piperazin-4-ium-1-yl]-thiophen-2-ylmethanone
CID 4295836

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl) 1-(thiophene-2-carbonyl)piperidine-4-carboxylate?
The IUPAC name of (4-chlorophenyl) 1-(thiophene-2-carbonyl)piperidine-4-carboxylate (CID 27844069) is (4-chlorophenyl) 1-(thiophene-2-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for (4-chlorophenyl) 1-(thiophene-2-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for (4-chlorophenyl) 1-(thiophene-2-carbonyl)piperidine-4-carboxylate is O=C(Oc1ccc(Cl)cc1)C1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of (4-chlorophenyl) 1-(thiophene-2-carbonyl)piperidine-4-carboxylate?
The InChIKey is RPHYGSAYSPHEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO3S/c18-13-3-5-14(6-4-13)22-17(21)12-7-9-19(10-8-12)16(20)15-2-1-11-23-15/h1-6,11-12H,7-10H2.
What are the key properties of (4-chlorophenyl) 1-(thiophene-2-carbonyl)piperidine-4-carboxylate?
(4-chlorophenyl) 1-(thiophene-2-carbonyl)piperidine-4-carboxylate has a molecular weight of 349.84 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl) 1-(thiophene-2-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 27844069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).