4-[2-(dimethylamino)-2-oxoethyl]-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide

C16H26N4O2S — CID 75475877

IUPAC4-[2-(dimethylamino)-2-oxoethyl]-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide
SMILESCc1cnc(CCNC(=O)N2CCC(CC(=O)N(C)C)CC2)s1
InChIInChI=1S/C16H26N4O2S/c1-12-11-18-14(23-12)4-7-17-16(22)20-8-5-13(6-9-20)10-15(21)19(2)3/h11,13H,4-10H2,1-3H3,(H,17,22)
InChIKeyZNSKFLBCVXQIRH-UHFFFAOYSA-N
MW338.48 g/mol
LogP1.89
Rot. Bonds5

About 4-[2-(dimethylamino)-2-oxoethyl]-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide

4-[2-(dimethylamino)-2-oxoethyl]-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide (PubChem CID 75475877) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is 4-[2-(dimethylamino)-2-oxoethyl]-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(dimethylamino)-2-oxoethyl]-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide
PubChem CID75475877
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC Name4-[2-(dimethylamino)-2-oxoethyl]-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide
SMILESCc1cnc(CCNC(=O)N2CCC(CC(=O)N(C)C)CC2)s1
InChIInChI=1S/C16H26N4O2S/c1-12-11-18-14(23-12)4-7-17-16(22)20-8-5-13(6-9-20)10-15(21)19(2)3/h11,13H,4-10H2,1-3H3,(H,17,22)
InChIKeyZNSKFLBCVXQIRH-UHFFFAOYSA-N
XLogP1.89
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)-2-oxoethyl]-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 4-[2-(dimethylamino)-2-oxoethyl]-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide (CID 75475877) is 4-[2-(dimethylamino)-2-oxoethyl]-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[2-(dimethylamino)-2-oxoethyl]-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[2-(dimethylamino)-2-oxoethyl]-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide is Cc1cnc(CCNC(=O)N2CCC(CC(=O)N(C)C)CC2)s1.
What is the InChIKey of 4-[2-(dimethylamino)-2-oxoethyl]-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide?
The InChIKey is ZNSKFLBCVXQIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-12-11-18-14(23-12)4-7-17-16(22)20-8-5-13(6-9-20)10-15(21)19(2)3/h11,13H,4-10H2,1-3H3,(H,17,22).
What are the key properties of 4-[2-(dimethylamino)-2-oxoethyl]-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide?
4-[2-(dimethylamino)-2-oxoethyl]-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide has a molecular weight of 338.48 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)-2-oxoethyl]-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 75475877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).