N-(1-cycloheptylpiperidin-3-yl)-2-(1,2,4-triazol-1-yl)acetamide

C16H27N5O — CID 45199034

IUPACN-(1-cycloheptylpiperidin-3-yl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)NC1CCCN(C2CCCCCC2)C1
InChIInChI=1S/C16H27N5O/c22-16(11-21-13-17-12-18-21)19-14-6-5-9-20(10-14)15-7-3-1-2-4-8-15/h12-15H,1-11H2,(H,19,22)
InChIKeyQKTHJLAAXCPXAT-UHFFFAOYSA-N
MW305.43 g/mol
LogP1.58
Rot. Bonds4

About N-(1-cycloheptylpiperidin-3-yl)-2-(1,2,4-triazol-1-yl)acetamide

N-(1-cycloheptylpiperidin-3-yl)-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 45199034) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is N-(1-cycloheptylpiperidin-3-yl)-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-cycloheptylpiperidin-3-yl)-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID45199034
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC NameN-(1-cycloheptylpiperidin-3-yl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)NC1CCCN(C2CCCCCC2)C1
InChIInChI=1S/C16H27N5O/c22-16(11-21-13-17-12-18-21)19-14-6-5-9-20(10-14)15-7-3-1-2-4-8-15/h12-15H,1-11H2,(H,19,22)
InChIKeyQKTHJLAAXCPXAT-UHFFFAOYSA-N
XLogP1.58
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cycloheptylpiperidin-3-yl)-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(1-cycloheptylpiperidin-3-yl)-2-(1,2,4-triazol-1-yl)acetamide (CID 45199034) is N-(1-cycloheptylpiperidin-3-yl)-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(1-cycloheptylpiperidin-3-yl)-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(1-cycloheptylpiperidin-3-yl)-2-(1,2,4-triazol-1-yl)acetamide is O=C(Cn1cncn1)NC1CCCN(C2CCCCCC2)C1.
What is the InChIKey of N-(1-cycloheptylpiperidin-3-yl)-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is QKTHJLAAXCPXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c22-16(11-21-13-17-12-18-21)19-14-6-5-9-20(10-14)15-7-3-1-2-4-8-15/h12-15H,1-11H2,(H,19,22).
What are the key properties of N-(1-cycloheptylpiperidin-3-yl)-2-(1,2,4-triazol-1-yl)acetamide?
N-(1-cycloheptylpiperidin-3-yl)-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 305.43 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cycloheptylpiperidin-3-yl)-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 45199034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).