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

C16H26N4O2S — CID 24817856

IUPAC1-[2-(dimethylamino)ethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1csc(CN(C)C(=O)C2CCC(=O)N(CCN(C)C)C2)n1
InChIInChI=1S/C16H26N4O2S/c1-12-11-23-14(17-12)10-19(4)16(22)13-5-6-15(21)20(9-13)8-7-18(2)3/h11,13H,5-10H2,1-4H3
InChIKeyPQQYSVDAJVEREZ-UHFFFAOYSA-N
MW338.48 g/mol
LogP1.21
Rot. Bonds6

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

1-[2-(dimethylamino)ethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24817856) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24817856
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC Name1-[2-(dimethylamino)ethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1csc(CN(C)C(=O)C2CCC(=O)N(CCN(C)C)C2)n1
InChIInChI=1S/C16H26N4O2S/c1-12-11-23-14(17-12)10-19(4)16(22)13-5-6-15(21)20(9-13)8-7-18(2)3/h11,13H,5-10H2,1-4H3
InChIKeyPQQYSVDAJVEREZ-UHFFFAOYSA-N
XLogP1.21
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide (CID 24817856) is 1-[2-(dimethylamino)ethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide is Cc1csc(CN(C)C(=O)C2CCC(=O)N(CCN(C)C)C2)n1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is PQQYSVDAJVEREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-12-11-23-14(17-12)10-19(4)16(22)13-5-6-15(21)20(9-13)8-7-18(2)3/h11,13H,5-10H2,1-4H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
1-[2-(dimethylamino)ethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 338.48 g/mol, XLogP of 1.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24817856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).