N,4-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(2-oxopiperidin-1-yl)pentanamide

C17H27N3O2S — CID 75378503

IUPACN,4-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(2-oxopiperidin-1-yl)pentanamide
SMILESCc1ncsc1CN(C)C(=O)C(CC(C)C)N1CCCCC1=O
InChIInChI=1S/C17H27N3O2S/c1-12(2)9-14(20-8-6-5-7-16(20)21)17(22)19(4)10-15-13(3)18-11-23-15/h11-12,14H,5-10H2,1-4H3
InChIKeyDPXAQFWNTHJBPW-UHFFFAOYSA-N
MW337.49 g/mol
LogP2.84
Rot. Bonds6

About N,4-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(2-oxopiperidin-1-yl)pentanamide

N,4-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(2-oxopiperidin-1-yl)pentanamide (PubChem CID 75378503) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is N,4-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(2-oxopiperidin-1-yl)pentanamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(2-oxopiperidin-1-yl)pentanamide
PubChem CID75378503
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC NameN,4-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(2-oxopiperidin-1-yl)pentanamide
SMILESCc1ncsc1CN(C)C(=O)C(CC(C)C)N1CCCCC1=O
InChIInChI=1S/C17H27N3O2S/c1-12(2)9-14(20-8-6-5-7-16(20)21)17(22)19(4)10-15-13(3)18-11-23-15/h11-12,14H,5-10H2,1-4H3
InChIKeyDPXAQFWNTHJBPW-UHFFFAOYSA-N
XLogP2.84
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(2-oxopiperidin-1-yl)pentanamide?
The IUPAC name of N,4-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(2-oxopiperidin-1-yl)pentanamide (CID 75378503) is N,4-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(2-oxopiperidin-1-yl)pentanamide.
What is the SMILES notation for N,4-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(2-oxopiperidin-1-yl)pentanamide?
The canonical SMILES for N,4-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(2-oxopiperidin-1-yl)pentanamide is Cc1ncsc1CN(C)C(=O)C(CC(C)C)N1CCCCC1=O.
What is the InChIKey of N,4-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(2-oxopiperidin-1-yl)pentanamide?
The InChIKey is DPXAQFWNTHJBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-12(2)9-14(20-8-6-5-7-16(20)21)17(22)19(4)10-15-13(3)18-11-23-15/h11-12,14H,5-10H2,1-4H3.
What are the key properties of N,4-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(2-oxopiperidin-1-yl)pentanamide?
N,4-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(2-oxopiperidin-1-yl)pentanamide has a molecular weight of 337.49 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(2-oxopiperidin-1-yl)pentanamide is sourced from PubChem (CID 75378503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).