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

C10H17N5O — CID 106779932

IUPAC2-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide
SMILESCn1ncnc1CC1NCCCC1C(N)=O
InChIInChI=1S/C10H17N5O/c1-15-9(13-6-14-15)5-8-7(10(11)16)3-2-4-12-8/h6-8,12H,2-5H2,1H3,(H2,11,16)
InChIKeyAADWDODGRVHMSO-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.79
Rot. Bonds3

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

2-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide (PubChem CID 106779932) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name2-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide
PubChem CID106779932
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name2-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide
SMILESCn1ncnc1CC1NCCCC1C(N)=O
InChIInChI=1S/C10H17N5O/c1-15-9(13-6-14-15)5-8-7(10(11)16)3-2-4-12-8/h6-8,12H,2-5H2,1H3,(H2,11,16)
InChIKeyAADWDODGRVHMSO-UHFFFAOYSA-N
XLogP-0.79
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[cyclopropyl(1-ethyl-1H-1,2,4-triazol-5-yl)methyl]-2-(1-isopropyl-4-piperidinyl)acetamide
CID 72870669
N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)ethyl]-2-(1-isopropyl-4-piperidinyl)acetamide
CID 72872954
1-cyclohexyl-N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)ethyl]-4-piperidinecarboxamide
CID 72888150
1-isopropyl-N-[1-(1-propyl-1H-1,2,4-triazol-5-yl)ethyl]-4-piperidinecarboxamide
CID 72907236
N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)ethyl]-1-isopropyl-4-piperidinecarboxamide
CID 72927971
2-(1-isopropyl-4-piperidinyl)-N-[1-(1-propyl-1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 72941163
Piperidin-3-yl-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 53192619
1-(cyclobutylcarbonyl)-N-[2-(1-methyl-1H-1,2,4-triazol-5-yl)ethyl]-4-piperidinecarboxamide
CID 72902958
1-acetyl-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]piperidine-4-carboxamide
CID 95189029
2-[1-butyl-5-[(3S)-1-cyclopentyl-6-oxopiperidin-3-yl]-1,2,4-triazol-3-yl]acetamide
CID 97445254
4,4-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 132383385
(3S)-3-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-2-one
CID 164641363

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 2-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide (CID 106779932) is 2-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 2-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 2-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide is Cn1ncnc1CC1NCCCC1C(N)=O.
What is the InChIKey of 2-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide?
The InChIKey is AADWDODGRVHMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-15-9(13-6-14-15)5-8-7(10(11)16)3-2-4-12-8/h6-8,12H,2-5H2,1H3,(H2,11,16).
What are the key properties of 2-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide?
2-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide has a molecular weight of 223.28 g/mol, XLogP of -0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 106779932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).