N-(1-propan-2-ylpiperidin-4-yl)-6-(2H-triazol-4-yl)hexanamide

C16H29N5O — CID 90224481

IUPACN-(1-propan-2-ylpiperidin-4-yl)-6-(2H-triazol-4-yl)hexanamide
SMILESCC(C)N1CCC(NC(=O)CCCCCc2cn[nH]n2)CC1
InChIInChI=1S/C16H29N5O/c1-13(2)21-10-8-14(9-11-21)18-16(22)7-5-3-4-6-15-12-17-20-19-15/h12-14H,3-11H2,1-2H3,(H,18,22)(H,17,19,20)
InChIKeyQFSGWLYURDAVNZ-UHFFFAOYSA-N
MW307.44 g/mol
LogP1.90
Rot. Bonds8

About N-(1-propan-2-ylpiperidin-4-yl)-6-(2H-triazol-4-yl)hexanamide

N-(1-propan-2-ylpiperidin-4-yl)-6-(2H-triazol-4-yl)hexanamide (PubChem CID 90224481) has the molecular formula C16H29N5O and a molecular weight of 307.44 g/mol. Its IUPAC name is N-(1-propan-2-ylpiperidin-4-yl)-6-(2H-triazol-4-yl)hexanamide.

Molecular Properties

Compound NameN-(1-propan-2-ylpiperidin-4-yl)-6-(2H-triazol-4-yl)hexanamide
PubChem CID90224481
Molecular FormulaC16H29N5O
Molecular Weight307.44 g/mol
Exact Mass307.24
IUPAC NameN-(1-propan-2-ylpiperidin-4-yl)-6-(2H-triazol-4-yl)hexanamide
SMILESCC(C)N1CCC(NC(=O)CCCCCc2cn[nH]n2)CC1
InChIInChI=1S/C16H29N5O/c1-13(2)21-10-8-14(9-11-21)18-16(22)7-5-3-4-6-15-12-17-20-19-15/h12-14H,3-11H2,1-2H3,(H,18,22)(H,17,19,20)
InChIKeyQFSGWLYURDAVNZ-UHFFFAOYSA-N
XLogP1.90
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-(1-propan-2-ylpiperidin-4-yl)-6-(2H-triazol-4-yl)hexanamide?
The IUPAC name of N-(1-propan-2-ylpiperidin-4-yl)-6-(2H-triazol-4-yl)hexanamide (CID 90224481) is N-(1-propan-2-ylpiperidin-4-yl)-6-(2H-triazol-4-yl)hexanamide.
What is the SMILES notation for N-(1-propan-2-ylpiperidin-4-yl)-6-(2H-triazol-4-yl)hexanamide?
The canonical SMILES for N-(1-propan-2-ylpiperidin-4-yl)-6-(2H-triazol-4-yl)hexanamide is CC(C)N1CCC(NC(=O)CCCCCc2cn[nH]n2)CC1.
What is the InChIKey of N-(1-propan-2-ylpiperidin-4-yl)-6-(2H-triazol-4-yl)hexanamide?
The InChIKey is QFSGWLYURDAVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O/c1-13(2)21-10-8-14(9-11-21)18-16(22)7-5-3-4-6-15-12-17-20-19-15/h12-14H,3-11H2,1-2H3,(H,18,22)(H,17,19,20).
What are the key properties of N-(1-propan-2-ylpiperidin-4-yl)-6-(2H-triazol-4-yl)hexanamide?
N-(1-propan-2-ylpiperidin-4-yl)-6-(2H-triazol-4-yl)hexanamide has a molecular weight of 307.44 g/mol, XLogP of 1.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propan-2-ylpiperidin-4-yl)-6-(2H-triazol-4-yl)hexanamide is sourced from PubChem (CID 90224481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).