1-(cyclobutanecarbonyl)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]piperidine-4-carboxamide

C18H29N5O2 — CID 72918402

IUPAC1-(cyclobutanecarbonyl)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]piperidine-4-carboxamide
SMILESCc1nc(C)n(CCCNC(=O)C2CCN(C(=O)C3CCC3)CC2)n1
InChIInChI=1S/C18H29N5O2/c1-13-20-14(2)23(21-13)10-4-9-19-17(24)15-7-11-22(12-8-15)18(25)16-5-3-6-16/h15-16H,3-12H2,1-2H3,(H,19,24)
InChIKeyLPUMQUOERVYQHS-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.44
Rot. Bonds6

About 1-(cyclobutanecarbonyl)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]piperidine-4-carboxamide

1-(cyclobutanecarbonyl)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]piperidine-4-carboxamide (PubChem CID 72918402) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-(cyclobutanecarbonyl)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclobutanecarbonyl)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]piperidine-4-carboxamide
PubChem CID72918402
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name1-(cyclobutanecarbonyl)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]piperidine-4-carboxamide
SMILESCc1nc(C)n(CCCNC(=O)C2CCN(C(=O)C3CCC3)CC2)n1
InChIInChI=1S/C18H29N5O2/c1-13-20-14(2)23(21-13)10-4-9-19-17(24)15-7-11-22(12-8-15)18(25)16-5-3-6-16/h15-16H,3-12H2,1-2H3,(H,19,24)
InChIKeyLPUMQUOERVYQHS-UHFFFAOYSA-N
XLogP1.44
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutanecarbonyl)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-(cyclobutanecarbonyl)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]piperidine-4-carboxamide (CID 72918402) is 1-(cyclobutanecarbonyl)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclobutanecarbonyl)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclobutanecarbonyl)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]piperidine-4-carboxamide is Cc1nc(C)n(CCCNC(=O)C2CCN(C(=O)C3CCC3)CC2)n1.
What is the InChIKey of 1-(cyclobutanecarbonyl)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]piperidine-4-carboxamide?
The InChIKey is LPUMQUOERVYQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-13-20-14(2)23(21-13)10-4-9-19-17(24)15-7-11-22(12-8-15)18(25)16-5-3-6-16/h15-16H,3-12H2,1-2H3,(H,19,24).
What are the key properties of 1-(cyclobutanecarbonyl)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]piperidine-4-carboxamide?
1-(cyclobutanecarbonyl)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]piperidine-4-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutanecarbonyl)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 72918402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).