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

C17H29N5O2 — CID 71972490

IUPACN-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N,4-dimethyl-2-(2-oxopiperidin-1-yl)pentanamide
SMILESCc1nnc(CN(C)C(=O)C(CC(C)C)N2CCCCC2=O)n1C
InChIInChI=1S/C17H29N5O2/c1-12(2)10-14(22-9-7-6-8-16(22)23)17(24)20(4)11-15-19-18-13(3)21(15)5/h12,14H,6-11H2,1-5H3
InChIKeyHLYSBYQDBPHXNC-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.51
Rot. Bonds6

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

N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N,4-dimethyl-2-(2-oxopiperidin-1-yl)pentanamide (PubChem CID 71972490) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N,4-dimethyl-2-(2-oxopiperidin-1-yl)pentanamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N,4-dimethyl-2-(2-oxopiperidin-1-yl)pentanamide
PubChem CID71972490
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC NameN-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N,4-dimethyl-2-(2-oxopiperidin-1-yl)pentanamide
SMILESCc1nnc(CN(C)C(=O)C(CC(C)C)N2CCCCC2=O)n1C
InChIInChI=1S/C17H29N5O2/c1-12(2)10-14(22-9-7-6-8-16(22)23)17(24)20(4)11-15-19-18-13(3)21(15)5/h12,14H,6-11H2,1-5H3
InChIKeyHLYSBYQDBPHXNC-UHFFFAOYSA-N
XLogP1.51
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N,4-dimethyl-2-(2-oxopiperidin-1-yl)pentanamide?
The IUPAC name of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N,4-dimethyl-2-(2-oxopiperidin-1-yl)pentanamide (CID 71972490) is N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N,4-dimethyl-2-(2-oxopiperidin-1-yl)pentanamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N,4-dimethyl-2-(2-oxopiperidin-1-yl)pentanamide?
The canonical SMILES for N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N,4-dimethyl-2-(2-oxopiperidin-1-yl)pentanamide is Cc1nnc(CN(C)C(=O)C(CC(C)C)N2CCCCC2=O)n1C.
What is the InChIKey of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N,4-dimethyl-2-(2-oxopiperidin-1-yl)pentanamide?
The InChIKey is HLYSBYQDBPHXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-12(2)10-14(22-9-7-6-8-16(22)23)17(24)20(4)11-15-19-18-13(3)21(15)5/h12,14H,6-11H2,1-5H3.
What are the key properties of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N,4-dimethyl-2-(2-oxopiperidin-1-yl)pentanamide?
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N,4-dimethyl-2-(2-oxopiperidin-1-yl)pentanamide has a molecular weight of 335.45 g/mol, XLogP of 1.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N,4-dimethyl-2-(2-oxopiperidin-1-yl)pentanamide is sourced from PubChem (CID 71972490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).