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

C13H19N5O2 — CID 78928337

IUPAC1-(cyclopropanecarbonyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide
SMILESCc1nc(NC(=O)C2CCCN(C(=O)C3CC3)C2)n[nH]1
InChIInChI=1S/C13H19N5O2/c1-8-14-13(17-16-8)15-11(19)10-3-2-6-18(7-10)12(20)9-4-5-9/h9-10H,2-7H2,1H3,(H2,14,15,16,17,19)
InChIKeyOJNKEZBRDKATBJ-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.70
Rot. Bonds3

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

1-(cyclopropanecarbonyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide (PubChem CID 78928337) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide
PubChem CID78928337
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name1-(cyclopropanecarbonyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide
SMILESCc1nc(NC(=O)C2CCCN(C(=O)C3CC3)C2)n[nH]1
InChIInChI=1S/C13H19N5O2/c1-8-14-13(17-16-8)15-11(19)10-3-2-6-18(7-10)12(20)9-4-5-9/h9-10H,2-7H2,1H3,(H2,14,15,16,17,19)
InChIKeyOJNKEZBRDKATBJ-UHFFFAOYSA-N
XLogP0.70
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1,3-dicarboxamide
CID 78927822
N-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopentanecarboxamide
CID 78928145
N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 86207135
1-acetyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide
CID 78927453
N-(5-methyl-1H-1,2,4-triazol-3-yl)thiolane-3-carboxamide
CID 80709247
N-(6-methyl-2-pyridinyl)-1-(piperidine-4-carbonyl)piperidine-3-carboxamide
CID 119855048
(3R)-1-(cyclopropanecarbonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 94819627
1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 46653762
methyl 1-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperidine-3-carboxylate
CID 114009916
1-(cyclopropanecarbonyl)-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-3-carboxamide
CID 43500690
N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 60514601
(3S)-1-(cyclopropanecarbonyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
CID 124569159

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide (CID 78928337) is 1-(cyclopropanecarbonyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide is Cc1nc(NC(=O)C2CCCN(C(=O)C3CC3)C2)n[nH]1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide?
The InChIKey is OJNKEZBRDKATBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-8-14-13(17-16-8)15-11(19)10-3-2-6-18(7-10)12(20)9-4-5-9/h9-10H,2-7H2,1H3,(H2,14,15,16,17,19).
What are the key properties of 1-(cyclopropanecarbonyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide?
1-(cyclopropanecarbonyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide has a molecular weight of 277.33 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 78928337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).