(4-methylpiperazin-1-yl)-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methanone

C17H28N2O — CID 7471137

IUPAC(4-methylpiperazin-1-yl)-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methanone
SMILESCN1CCN(C(=O)C23CC4C[C@@H](CC[C@@H](C4)C2)C3)CC1
InChIInChI=1S/C17H28N2O/c1-18-4-6-19(7-5-18)16(20)17-10-13-2-3-14(11-17)9-15(8-13)12-17/h13-15H,2-12H2,1H3/t13-,14+,15?,17?
InChIKeyYQKPMZXPYHVBMX-KWOWKCNFSA-N
MW276.42 g/mol
LogP2.37
Rot. Bonds1

About (4-methylpiperazin-1-yl)-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methanone

(4-methylpiperazin-1-yl)-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methanone (PubChem CID 7471137) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methanone
PubChem CID7471137
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name(4-methylpiperazin-1-yl)-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methanone
SMILESCN1CCN(C(=O)C23CC4C[C@@H](CC[C@@H](C4)C2)C3)CC1
InChIInChI=1S/C17H28N2O/c1-18-4-6-19(7-5-18)16(20)17-10-13-2-3-14(11-17)9-15(8-13)12-17/h13-15H,2-12H2,1H3/t13-,14+,15?,17?
InChIKeyYQKPMZXPYHVBMX-KWOWKCNFSA-N
XLogP2.37
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-methylpiperazin-1-yl)-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methanone (CID 7471137) is (4-methylpiperazin-1-yl)-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methanone is CN1CCN(C(=O)C23CC4C[C@@H](CC[C@@H](C4)C2)C3)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methanone?
The InChIKey is YQKPMZXPYHVBMX-KWOWKCNFSA-N. The full InChI is InChI=1S/C17H28N2O/c1-18-4-6-19(7-5-18)16(20)17-10-13-2-3-14(11-17)9-15(8-13)12-17/h13-15H,2-12H2,1H3/t13-,14+,15?,17?.
What are the key properties of (4-methylpiperazin-1-yl)-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methanone?
(4-methylpiperazin-1-yl)-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methanone has a molecular weight of 276.42 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methanone is sourced from PubChem (CID 7471137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).