[4-oxo-4-[4-(1H-1,2,4-triazole-5-carbonylamino)piperidin-1-yl]butyl] carbamate

C13H20N6O4 — CID 175284797

IUPAC[4-oxo-4-[4-(1H-1,2,4-triazole-5-carbonylamino)piperidin-1-yl]butyl] carbamate
SMILESNC(=O)OCCCC(=O)N1CCC(NC(=O)c2ncn[nH]2)CC1
InChIInChI=1S/C13H20N6O4/c14-13(22)23-7-1-2-10(20)19-5-3-9(4-6-19)17-12(21)11-15-8-16-18-11/h8-9H,1-7H2,(H2,14,22)(H,17,21)(H,15,16,18)
InChIKeyIREDGVKNOQXHTK-UHFFFAOYSA-N
MW324.34 g/mol
LogP-0.60
Rot. Bonds6

About [4-oxo-4-[4-(1H-1,2,4-triazole-5-carbonylamino)piperidin-1-yl]butyl] carbamate

[4-oxo-4-[4-(1H-1,2,4-triazole-5-carbonylamino)piperidin-1-yl]butyl] carbamate (PubChem CID 175284797) has the molecular formula C13H20N6O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is [4-oxo-4-[4-(1H-1,2,4-triazole-5-carbonylamino)piperidin-1-yl]butyl] carbamate.

Molecular Properties

Compound Name[4-oxo-4-[4-(1H-1,2,4-triazole-5-carbonylamino)piperidin-1-yl]butyl] carbamate
PubChem CID175284797
Molecular FormulaC13H20N6O4
Molecular Weight324.34 g/mol
Exact Mass324.15
IUPAC Name[4-oxo-4-[4-(1H-1,2,4-triazole-5-carbonylamino)piperidin-1-yl]butyl] carbamate
SMILESNC(=O)OCCCC(=O)N1CCC(NC(=O)c2ncn[nH]2)CC1
InChIInChI=1S/C13H20N6O4/c14-13(22)23-7-1-2-10(20)19-5-3-9(4-6-19)17-12(21)11-15-8-16-18-11/h8-9H,1-7H2,(H2,14,22)(H,17,21)(H,15,16,18)
InChIKeyIREDGVKNOQXHTK-UHFFFAOYSA-N
XLogP-0.60
TPSA143.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(1-methylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide
CID 67184534
N-(4-pyrimidin-2-yloxycyclohexyl)-1H-1,2,4-triazole-5-carboxamide
CID 90633421
N-[1-(4-chlorobutanoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 108562614
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108555027
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]pyridine-2-carboxamide
CID 49488608
N-[1-(4-chlorobutanoyl)piperidin-4-yl]-2-hydroxybenzamide
CID 108560135
N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]pyridine-2-carboxamide
CID 108557848
4-methoxy-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108548924
N-[1-(4-phenoxybutanoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551285
3-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108555362
N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 108548470
2-chloro-N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108550822

Frequently Asked Questions

What is the IUPAC name of [4-oxo-4-[4-(1H-1,2,4-triazole-5-carbonylamino)piperidin-1-yl]butyl] carbamate?
The IUPAC name of [4-oxo-4-[4-(1H-1,2,4-triazole-5-carbonylamino)piperidin-1-yl]butyl] carbamate (CID 175284797) is [4-oxo-4-[4-(1H-1,2,4-triazole-5-carbonylamino)piperidin-1-yl]butyl] carbamate.
What is the SMILES notation for [4-oxo-4-[4-(1H-1,2,4-triazole-5-carbonylamino)piperidin-1-yl]butyl] carbamate?
The canonical SMILES for [4-oxo-4-[4-(1H-1,2,4-triazole-5-carbonylamino)piperidin-1-yl]butyl] carbamate is NC(=O)OCCCC(=O)N1CCC(NC(=O)c2ncn[nH]2)CC1.
What is the InChIKey of [4-oxo-4-[4-(1H-1,2,4-triazole-5-carbonylamino)piperidin-1-yl]butyl] carbamate?
The InChIKey is IREDGVKNOQXHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O4/c14-13(22)23-7-1-2-10(20)19-5-3-9(4-6-19)17-12(21)11-15-8-16-18-11/h8-9H,1-7H2,(H2,14,22)(H,17,21)(H,15,16,18).
What are the key properties of [4-oxo-4-[4-(1H-1,2,4-triazole-5-carbonylamino)piperidin-1-yl]butyl] carbamate?
[4-oxo-4-[4-(1H-1,2,4-triazole-5-carbonylamino)piperidin-1-yl]butyl] carbamate has a molecular weight of 324.34 g/mol, XLogP of -0.60, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-oxo-4-[4-(1H-1,2,4-triazole-5-carbonylamino)piperidin-1-yl]butyl] carbamate is sourced from PubChem (CID 175284797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).