1-acetyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide

C11H17N5O2 — CID 54885056

IUPAC1-acetyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)NCc2ncn[nH]2)C1
InChIInChI=1S/C11H17N5O2/c1-8(17)16-4-2-3-9(6-16)11(18)12-5-10-13-7-14-15-10/h7,9H,2-6H2,1H3,(H,12,18)(H,13,14,15)
InChIKeySYPNAOIXTPYHEQ-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.32
Rot. Bonds3

About 1-acetyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide

1-acetyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide (PubChem CID 54885056) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-acetyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide
PubChem CID54885056
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name1-acetyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)NCc2ncn[nH]2)C1
InChIInChI=1S/C11H17N5O2/c1-8(17)16-4-2-3-9(6-16)11(18)12-5-10-13-7-14-15-10/h7,9H,2-6H2,1H3,(H,12,18)(H,13,14,15)
InChIKeySYPNAOIXTPYHEQ-UHFFFAOYSA-N
XLogP-0.32
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-amino-2-oxoethyl)-N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N-methylpiperidine-3-carboxamide
CID 47000434
2-[1-(3-methylbutyl)-3-oxo-2-piperazinyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
CID 56917479
1-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-N-methylpiperidine-1,4-dicarboxamide
CID 71892913
N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)ethyl]-2-(1-isopropyl-4-piperidinyl)acetamide
CID 72872954
1-ethyl-3-methyl-N-[2-(5-methyl-4H-1,2,4-triazol-3-yl)ethyl]-3-piperidinecarboxamide
CID 72896844
2-(1-isopropyl-4-piperidinyl)-N-[1-(1-propyl-1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 72941163
3-{[4-(4-methyl-4H-1,2,4-triazol-3-yl)-1-piperidinyl]carbonyl}-1-piperidinecarboxamide
CID 70732021
1-acetyl-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]piperidine-4-carboxamide
CID 95189029
(3S)-1-cycloheptyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 97132151
N,1-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclobutane-1-carboxamide
CID 136512967
5-(3,3-difluoropiperidin-1-yl)-2-formamido-2-(1H-1,2,4-triazol-5-yl)pentanamide
CID 146192914
N-(1-(4-aminobutanoyl)piperidin-4-yl)-4H-1,2,4-triazole-3-carboxamide
CID 118946460

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide (CID 54885056) is 1-acetyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide is CC(=O)N1CCCC(C(=O)NCc2ncn[nH]2)C1.
What is the InChIKey of 1-acetyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide?
The InChIKey is SYPNAOIXTPYHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-8(17)16-4-2-3-9(6-16)11(18)12-5-10-13-7-14-15-10/h7,9H,2-6H2,1H3,(H,12,18)(H,13,14,15).
What are the key properties of 1-acetyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide?
1-acetyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide has a molecular weight of 251.29 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 54885056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).