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

C10H17N5O — CID 93429180

IUPAC(2R)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide
SMILESCn1cnnc1CNC(=O)[C@H]1CCCCN1
InChIInChI=1S/C10H17N5O/c1-15-7-13-14-9(15)6-12-10(16)8-4-2-3-5-11-8/h7-8,11H,2-6H2,1H3,(H,12,16)/t8-/m1/s1
InChIKeyUITBVPZSKLUYBP-MRVPVSSYSA-N
MW223.28 g/mol
LogP-0.43
Rot. Bonds3

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

(2R)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide (PubChem CID 93429180) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is (2R)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide
PubChem CID93429180
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name(2R)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide
SMILESCn1cnnc1CNC(=O)[C@H]1CCCCN1
InChIInChI=1S/C10H17N5O/c1-15-7-13-14-9(15)6-12-10(16)8-4-2-3-5-11-8/h7-8,11H,2-6H2,1H3,(H,12,16)/t8-/m1/s1
InChIKeyUITBVPZSKLUYBP-MRVPVSSYSA-N
XLogP-0.43
TPSA71.84 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 ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 61164033
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-2-ylacetamide
CID 62117188
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 61004222
N-[(1-methylimidazol-2-yl)methyl]piperidine-2-carboxamide
CID 63293631
N-[(1-methylimidazol-2-yl)methyl]azepane-2-carboxamide
CID 64568957
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 54896049
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-2-carboxamide
CID 43706300
(2S)-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide
CID 63293809
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-2-carboxamide
CID 79236153
(2S)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119725181
N-[(1-methylpyrazol-3-yl)methyl]azepane-2-carboxamide
CID 82873870
2-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 82237375

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide?
The IUPAC name of (2R)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide (CID 93429180) is (2R)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide is Cn1cnnc1CNC(=O)[C@H]1CCCCN1.
What is the InChIKey of (2R)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide?
The InChIKey is UITBVPZSKLUYBP-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-15-7-13-14-9(15)6-12-10(16)8-4-2-3-5-11-8/h7-8,11H,2-6H2,1H3,(H,12,16)/t8-/m1/s1.
What are the key properties of (2R)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide?
(2R)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide has a molecular weight of 223.28 g/mol, XLogP of -0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 93429180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).