1-(3-chlorobenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide

C19H22ClN3O2S — CID 20974802

IUPAC1-(3-chlorobenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
SMILESCc1nc(CCNC(=O)C2CCN(C(=O)c3cccc(Cl)c3)CC2)cs1
InChIInChI=1S/C19H22ClN3O2S/c1-13-22-17(12-26-13)5-8-21-18(24)14-6-9-23(10-7-14)19(25)15-3-2-4-16(20)11-15/h2-4,11-12,14H,5-10H2,1H3,(H,21,24)
InChIKeyMXMDCPPXAJVFRW-UHFFFAOYSA-N
MW391.92 g/mol
LogP3.32
Rot. Bonds5

About 1-(3-chlorobenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide

1-(3-chlorobenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide (PubChem CID 20974802) has the molecular formula C19H22ClN3O2S and a molecular weight of 391.92 g/mol. Its IUPAC name is 1-(3-chlorobenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorobenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
PubChem CID20974802
Molecular FormulaC19H22ClN3O2S
Molecular Weight391.92 g/mol
Exact Mass391.11
IUPAC Name1-(3-chlorobenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
SMILESCc1nc(CCNC(=O)C2CCN(C(=O)c3cccc(Cl)c3)CC2)cs1
InChIInChI=1S/C19H22ClN3O2S/c1-13-22-17(12-26-13)5-8-21-18(24)14-6-9-23(10-7-14)19(25)15-3-2-4-16(20)11-15/h2-4,11-12,14H,5-10H2,1H3,(H,21,24)
InChIKeyMXMDCPPXAJVFRW-UHFFFAOYSA-N
XLogP3.32
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorobenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(3-chlorobenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide (CID 20974802) is 1-(3-chlorobenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-chlorobenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(3-chlorobenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide is Cc1nc(CCNC(=O)C2CCN(C(=O)c3cccc(Cl)c3)CC2)cs1.
What is the InChIKey of 1-(3-chlorobenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is MXMDCPPXAJVFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2S/c1-13-22-17(12-26-13)5-8-21-18(24)14-6-9-23(10-7-14)19(25)15-3-2-4-16(20)11-15/h2-4,11-12,14H,5-10H2,1H3,(H,21,24).
What are the key properties of 1-(3-chlorobenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide?
1-(3-chlorobenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 391.92 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorobenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 20974802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).