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

C10H17N5O — CID 63131995

IUPAC3-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide
SMILESCC1(C(=O)NCc2ncn[nH]2)CCCNC1
InChIInChI=1S/C10H17N5O/c1-10(3-2-4-11-6-10)9(16)12-5-8-13-7-14-15-8/h7,11H,2-6H2,1H3,(H,12,16)(H,13,14,15)
InChIKeyJGHJSFPTGHFGAL-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.19
Rot. Bonds3

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

3-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide (PubChem CID 63131995) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide
PubChem CID63131995
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name3-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide
SMILESCC1(C(=O)NCc2ncn[nH]2)CCCNC1
InChIInChI=1S/C10H17N5O/c1-10(3-2-4-11-6-10)9(16)12-5-8-13-7-14-15-8/h7,11H,2-6H2,1H3,(H,12,16)(H,13,14,15)
InChIKeyJGHJSFPTGHFGAL-UHFFFAOYSA-N
XLogP-0.19
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 3-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide (CID 63131995) is 3-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide is CC1(C(=O)NCc2ncn[nH]2)CCCNC1.
What is the InChIKey of 3-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide?
The InChIKey is JGHJSFPTGHFGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-10(3-2-4-11-6-10)9(16)12-5-8-13-7-14-15-8/h7,11H,2-6H2,1H3,(H,12,16)(H,13,14,15).
What are the key properties of 3-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide?
3-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide has a molecular weight of 223.28 g/mol, XLogP of -0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 63131995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).