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

C16H27N5O2 — CID 95189029

IUPAC1-acetyl-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)N[C@@H](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)/t14-/m0/s1
InChIKeySDJYFTGMTRXKAR-AWEZNQCLSA-N
MW321.43 g/mol
LogP1.28
Rot. Bonds5

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

1-acetyl-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]piperidine-4-carboxamide (PubChem CID 95189029) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 1-acetyl-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]piperidine-4-carboxamide
PubChem CID95189029
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC Name1-acetyl-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)N[C@@H](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)/t14-/m0/s1
InChIKeySDJYFTGMTRXKAR-AWEZNQCLSA-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

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

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Related Compounds

N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]oxane-4-carboxamide
CID 125437324
5-methyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-oxazole-4-carboxamide
CID 122568494
4-hydroxy-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-4-phenylpiperidine-1-carboxamide
CID 125448737
N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]oxane-4-carboxamide
CID 122557182
N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]oxane-4-carboxamide
CID 125436014
2-amino-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-thiazole-5-carboxamide
CID 122560144
N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 125438783
2-methoxy-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]pyrimidine-5-carboxamide
CID 126444842
N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
CID 70737249
N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-thiophen-3-ylacetamide
CID 125447617
2-amino-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-thiazole-4-carboxamide
CID 125443480
4-fluoro-3-methyl-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]benzamide
CID 95226291

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]piperidine-4-carboxamide (CID 95189029) is 1-acetyl-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)N[C@@H](CC(C)C)c2ncnn2C)CC1.
What is the InChIKey of 1-acetyl-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]piperidine-4-carboxamide?
The InChIKey is SDJYFTGMTRXKAR-AWEZNQCLSA-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)/t14-/m0/s1.
What are the key properties of 1-acetyl-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]piperidine-4-carboxamide?
1-acetyl-N-[(1S)-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-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]piperidine-4-carboxamide is sourced from PubChem (CID 95189029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).