1-acetyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]piperidine-4-carboxamide

C16H27N5O2 — CID 56739208

IUPAC1-acetyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NC(CC(C)C)c2ncnn2C)CC1
InChIInChI=1S/C16H27N5O2/c1-11(2)9-14(15-17-10-18-20(15)4)19-16(23)13-5-7-21(8-6-13)12(3)22/h10-11,13-14H,5-9H2,1-4H3,(H,19,23)
InChIKeySDJYFTGMTRXKAR-UHFFFAOYSA-N
MW321.43 g/mol
LogP1.28
Rot. Bonds5

About 1-acetyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]piperidine-4-carboxamide

1-acetyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]piperidine-4-carboxamide (PubChem CID 56739208) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 1-acetyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]piperidine-4-carboxamide
PubChem CID56739208
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC Name1-acetyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NC(CC(C)C)c2ncnn2C)CC1
InChIInChI=1S/C16H27N5O2/c1-11(2)9-14(15-17-10-18-20(15)4)19-16(23)13-5-7-21(8-6-13)12(3)22/h10-11,13-14H,5-9H2,1-4H3,(H,19,23)
InChIKeySDJYFTGMTRXKAR-UHFFFAOYSA-N
XLogP1.28
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]piperidine-4-carboxamide (CID 56739208) is 1-acetyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)NC(CC(C)C)c2ncnn2C)CC1.
What is the InChIKey of 1-acetyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]piperidine-4-carboxamide?
The InChIKey is SDJYFTGMTRXKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-11(2)9-14(15-17-10-18-20(15)4)19-16(23)13-5-7-21(8-6-13)12(3)22/h10-11,13-14H,5-9H2,1-4H3,(H,19,23).
What are the key properties of 1-acetyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]piperidine-4-carboxamide?
1-acetyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]piperidine-4-carboxamide has a molecular weight of 321.43 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]piperidine-4-carboxamide is sourced from PubChem (CID 56739208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).