N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1-(oxan-4-yl)piperidine-4-carboxamide;formic acid

C15H26N6O4 — CID 154905677

IUPACN-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1-(oxan-4-yl)piperidine-4-carboxamide;formic acid
SMILESNc1n[nH]c(CNC(=O)C2CCN(C3CCOCC3)CC2)n1.O=CO
InChIInChI=1S/C14H24N6O2.CH2O2/c15-14-17-12(18-19-14)9-16-13(21)10-1-5-20(6-2-10)11-3-7-22-8-4-11;2-1-3/h10-11H,1-9H2,(H,16,21)(H3,15,17,18,19);1H,(H,2,3)
InChIKeySLHBSQIQHAVDMU-UHFFFAOYSA-N
MW354.41 g/mol
LogP-0.41
Rot. Bonds4

About N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1-(oxan-4-yl)piperidine-4-carboxamide;formic acid

N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1-(oxan-4-yl)piperidine-4-carboxamide;formic acid (PubChem CID 154905677) has the molecular formula C15H26N6O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1-(oxan-4-yl)piperidine-4-carboxamide;formic acid.

Molecular Properties

Compound NameN-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1-(oxan-4-yl)piperidine-4-carboxamide;formic acid
PubChem CID154905677
Molecular FormulaC15H26N6O4
Molecular Weight354.41 g/mol
Exact Mass354.20
IUPAC NameN-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1-(oxan-4-yl)piperidine-4-carboxamide;formic acid
SMILESNc1n[nH]c(CNC(=O)C2CCN(C3CCOCC3)CC2)n1.O=CO
InChIInChI=1S/C14H24N6O2.CH2O2/c15-14-17-12(18-19-14)9-16-13(21)10-1-5-20(6-2-10)11-3-7-22-8-4-11;2-1-3/h10-11H,1-9H2,(H,16,21)(H3,15,17,18,19);1H,(H,2,3)
InChIKeySLHBSQIQHAVDMU-UHFFFAOYSA-N
XLogP-0.41
TPSA146.46 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 5-0.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1-(oxan-4-yl)piperidine-4-carboxamide;formic acid with MolForge

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Related Compounds

N-[(2-amino-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)piperidine-4-carboxamide;formic acid
CID 154909808
(4aR,6S,8aS)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-6-morpholin-4-yl-2-propanoyl-1,3,4,4a,5,6,7,8-octahydroisoquinoline-8a-carboxamide;formic acid
CID 163333846
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[1-(oxan-4-yl)piperidin-4-yl]acetamide;formic acid
CID 154909706
(3R,6S)-6-amino-1-(oxan-4-yl)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]azepane-3-carboxamide;dihydrochloride
CID 166599114
N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-1-(oxan-4-yl)piperidine-4-carboxamide
CID 118769145
1-(oxan-4-yl)-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide
CID 118768994
(2S)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1-benzylpyrrolidine-2-carboxamide
CID 91763258
N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-(oxan-4-yl)piperidine-4-carboxamide
CID 118770462
(1R,9aR)-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxamide;formic acid
CID 154906788
N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-1-(oxan-4-yl)piperidine-4-carboxamide;formic acid
CID 154909647
(2R)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropanamide
CID 125438070
(2S)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropanamide
CID 125438071

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1-(oxan-4-yl)piperidine-4-carboxamide;formic acid?
The IUPAC name of N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1-(oxan-4-yl)piperidine-4-carboxamide;formic acid (CID 154905677) is N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1-(oxan-4-yl)piperidine-4-carboxamide;formic acid.
What is the SMILES notation for N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1-(oxan-4-yl)piperidine-4-carboxamide;formic acid?
The canonical SMILES for N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1-(oxan-4-yl)piperidine-4-carboxamide;formic acid is Nc1n[nH]c(CNC(=O)C2CCN(C3CCOCC3)CC2)n1.O=CO.
What is the InChIKey of N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1-(oxan-4-yl)piperidine-4-carboxamide;formic acid?
The InChIKey is SLHBSQIQHAVDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O2.CH2O2/c15-14-17-12(18-19-14)9-16-13(21)10-1-5-20(6-2-10)11-3-7-22-8-4-11;2-1-3/h10-11H,1-9H2,(H,16,21)(H3,15,17,18,19);1H,(H,2,3).
What are the key properties of N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1-(oxan-4-yl)piperidine-4-carboxamide;formic acid?
N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1-(oxan-4-yl)piperidine-4-carboxamide;formic acid has a molecular weight of 354.41 g/mol, XLogP of -0.41, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1-(oxan-4-yl)piperidine-4-carboxamide;formic acid is sourced from PubChem (CID 154905677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).