N-methyl-6-oxo-1-(3-phenylpropyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide

C20H25N3O2S — CID 24790243

IUPACN-methyl-6-oxo-1-(3-phenylpropyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide
SMILESCN(Cc1nccs1)C(=O)C1CCC(=O)N(CCCc2ccccc2)C1
InChIInChI=1S/C20H25N3O2S/c1-22(15-18-21-11-13-26-18)20(25)17-9-10-19(24)23(14-17)12-5-8-16-6-3-2-4-7-16/h2-4,6-7,11,13,17H,5,8-10,12,14-15H2,1H3
InChIKeyTWYRNJZCFAACKL-UHFFFAOYSA-N
MW371.51 g/mol
LogP2.97
Rot. Bonds7

About N-methyl-6-oxo-1-(3-phenylpropyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide

N-methyl-6-oxo-1-(3-phenylpropyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 24790243) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is N-methyl-6-oxo-1-(3-phenylpropyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-oxo-1-(3-phenylpropyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide
PubChem CID24790243
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC NameN-methyl-6-oxo-1-(3-phenylpropyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide
SMILESCN(Cc1nccs1)C(=O)C1CCC(=O)N(CCCc2ccccc2)C1
InChIInChI=1S/C20H25N3O2S/c1-22(15-18-21-11-13-26-18)20(25)17-9-10-19(24)23(14-17)12-5-8-16-6-3-2-4-7-16/h2-4,6-7,11,13,17H,5,8-10,12,14-15H2,1H3
InChIKeyTWYRNJZCFAACKL-UHFFFAOYSA-N
XLogP2.97
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-oxo-1-(3-phenylpropyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of N-methyl-6-oxo-1-(3-phenylpropyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide (CID 24790243) is N-methyl-6-oxo-1-(3-phenylpropyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-methyl-6-oxo-1-(3-phenylpropyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for N-methyl-6-oxo-1-(3-phenylpropyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide is CN(Cc1nccs1)C(=O)C1CCC(=O)N(CCCc2ccccc2)C1.
What is the InChIKey of N-methyl-6-oxo-1-(3-phenylpropyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is TWYRNJZCFAACKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-22(15-18-21-11-13-26-18)20(25)17-9-10-19(24)23(14-17)12-5-8-16-6-3-2-4-7-16/h2-4,6-7,11,13,17H,5,8-10,12,14-15H2,1H3.
What are the key properties of N-methyl-6-oxo-1-(3-phenylpropyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide?
N-methyl-6-oxo-1-(3-phenylpropyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 371.51 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-oxo-1-(3-phenylpropyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 24790243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).