1-[(2-methoxyphenyl)methyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide

C20H25N3O3S — CID 24790308

IUPAC1-[(2-methoxyphenyl)methyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCOc1ccccc1CN1CC(C(=O)N(C)Cc2nc(C)cs2)CCC1=O
InChIInChI=1S/C20H25N3O3S/c1-14-13-27-18(21-14)12-22(2)20(25)16-8-9-19(24)23(11-16)10-15-6-4-5-7-17(15)26-3/h4-7,13,16H,8-12H2,1-3H3
InChIKeyLMRPPJJKIIOEKW-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.86
Rot. Bonds6

About 1-[(2-methoxyphenyl)methyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide

1-[(2-methoxyphenyl)methyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24790308) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24790308
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name1-[(2-methoxyphenyl)methyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCOc1ccccc1CN1CC(C(=O)N(C)Cc2nc(C)cs2)CCC1=O
InChIInChI=1S/C20H25N3O3S/c1-14-13-27-18(21-14)12-22(2)20(25)16-8-9-19(24)23(11-16)10-15-6-4-5-7-17(15)26-3/h4-7,13,16H,8-12H2,1-3H3
InChIKeyLMRPPJJKIIOEKW-UHFFFAOYSA-N
XLogP2.86
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide (CID 24790308) is 1-[(2-methoxyphenyl)methyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide is COc1ccccc1CN1CC(C(=O)N(C)Cc2nc(C)cs2)CCC1=O.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is LMRPPJJKIIOEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-14-13-27-18(21-14)12-22(2)20(25)16-8-9-19(24)23(11-16)10-15-6-4-5-7-17(15)26-3/h4-7,13,16H,8-12H2,1-3H3.
What are the key properties of 1-[(2-methoxyphenyl)methyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
1-[(2-methoxyphenyl)methyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 387.51 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24790308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).