1-acetyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxamide

C13H21N5O2 — CID 64510407

IUPAC1-acetyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)N(C)Cc2n[nH]c(C)n2)CC1
InChIInChI=1S/C13H21N5O2/c1-9-14-12(16-15-9)8-17(3)13(20)11-4-6-18(7-5-11)10(2)19/h11H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyUBJDETFHWOHIGQ-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.33
Rot. Bonds3

About 1-acetyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxamide

1-acetyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxamide (PubChem CID 64510407) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-acetyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxamide
PubChem CID64510407
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name1-acetyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)N(C)Cc2n[nH]c(C)n2)CC1
InChIInChI=1S/C13H21N5O2/c1-9-14-12(16-15-9)8-17(3)13(20)11-4-6-18(7-5-11)10(2)19/h11H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyUBJDETFHWOHIGQ-UHFFFAOYSA-N
XLogP0.33
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-acetyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

4-tert-butyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxamide
CID 64511192
(2S)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide
CID 103814748
3-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 64517474
N,4-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide
CID 114424110
cyclopropyl-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone
CID 110196456
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 64512377
1-acetyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide
CID 78927453
2-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
CID 64519599
3-tert-butyl-1-methyl-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]urea
CID 64512274
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-piperazin-1-ylpropanamide
CID 64518291
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-2-ylacetamide
CID 64519602
2-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide
CID 64517864

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxamide (CID 64510407) is 1-acetyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)N(C)Cc2n[nH]c(C)n2)CC1.
What is the InChIKey of 1-acetyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxamide?
The InChIKey is UBJDETFHWOHIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-9-14-12(16-15-9)8-17(3)13(20)11-4-6-18(7-5-11)10(2)19/h11H,4-8H2,1-3H3,(H,14,15,16).
What are the key properties of 1-acetyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxamide?
1-acetyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 64510407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).