2-(4-methylpiperazin-1-yl)-N-[[(3R,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methyl]acetamide

C19H33N3O — CID 22489803

IUPAC2-(4-methylpiperazin-1-yl)-N-[[(3R,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methyl]acetamide
SMILESCN1CCN(CC(=O)NCC23CC4C[C@@H](CC[C@H](C4)C2)C3)CC1
InChIInChI=1S/C19H33N3O/c1-21-4-6-22(7-5-21)13-18(23)20-14-19-10-15-2-3-16(11-19)9-17(8-15)12-19/h15-17H,2-14H2,1H3,(H,20,23)/t15-,16-,17?,19?/m1/s1
InChIKeyXAHBIZKDIFOXBS-HNXFYBAISA-N
MW319.49 g/mol
LogP1.96
Rot. Bonds4

About 2-(4-methylpiperazin-1-yl)-N-[[(3R,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methyl]acetamide

2-(4-methylpiperazin-1-yl)-N-[[(3R,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methyl]acetamide (PubChem CID 22489803) has the molecular formula C19H33N3O and a molecular weight of 319.49 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-[[(3R,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-[[(3R,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methyl]acetamide
PubChem CID22489803
Molecular FormulaC19H33N3O
Molecular Weight319.49 g/mol
Exact Mass319.26
IUPAC Name2-(4-methylpiperazin-1-yl)-N-[[(3R,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methyl]acetamide
SMILESCN1CCN(CC(=O)NCC23CC4C[C@@H](CC[C@H](C4)C2)C3)CC1
InChIInChI=1S/C19H33N3O/c1-21-4-6-22(7-5-21)13-18(23)20-14-19-10-15-2-3-16(11-19)9-17(8-15)12-19/h15-17H,2-14H2,1H3,(H,20,23)/t15-,16-,17?,19?/m1/s1
InChIKeyXAHBIZKDIFOXBS-HNXFYBAISA-N
XLogP1.96
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[[(3R,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methyl]acetamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[[(3R,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methyl]acetamide (CID 22489803) is 2-(4-methylpiperazin-1-yl)-N-[[(3R,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methyl]acetamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-[[(3R,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methyl]acetamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-[[(3R,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methyl]acetamide is CN1CCN(CC(=O)NCC23CC4C[C@@H](CC[C@H](C4)C2)C3)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-[[(3R,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methyl]acetamide?
The InChIKey is XAHBIZKDIFOXBS-HNXFYBAISA-N. The full InChI is InChI=1S/C19H33N3O/c1-21-4-6-22(7-5-21)13-18(23)20-14-19-10-15-2-3-16(11-19)9-17(8-15)12-19/h15-17H,2-14H2,1H3,(H,20,23)/t15-,16-,17?,19?/m1/s1.
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-[[(3R,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methyl]acetamide?
2-(4-methylpiperazin-1-yl)-N-[[(3R,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methyl]acetamide has a molecular weight of 319.49 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-[[(3R,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methyl]acetamide is sourced from PubChem (CID 22489803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).