2-(4-ethylpiperazin-1-yl)-N-[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide

C18H33N3O — CID 50935453

IUPAC2-(4-ethylpiperazin-1-yl)-N-[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
SMILESCCN1CCN(CC(=O)N[C@]2(C)[C@H]3CC[C@H](C3)C2(C)C)CC1
InChIInChI=1S/C18H33N3O/c1-5-20-8-10-21(11-9-20)13-16(22)19-18(4)15-7-6-14(12-15)17(18,2)3/h14-15H,5-13H2,1-4H3,(H,19,22)/t14-,15+,18-/m1/s1
InChIKeyLOIHYFUROLKSQC-RVKKMQEKSA-N
MW307.48 g/mol
LogP1.95
Rot. Bonds4

About 2-(4-ethylpiperazin-1-yl)-N-[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide

2-(4-ethylpiperazin-1-yl)-N-[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide (PubChem CID 50935453) has the molecular formula C18H33N3O and a molecular weight of 307.48 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-N-[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-N-[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
PubChem CID50935453
Molecular FormulaC18H33N3O
Molecular Weight307.48 g/mol
Exact Mass307.26
IUPAC Name2-(4-ethylpiperazin-1-yl)-N-[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
SMILESCCN1CCN(CC(=O)N[C@]2(C)[C@H]3CC[C@H](C3)C2(C)C)CC1
InChIInChI=1S/C18H33N3O/c1-5-20-8-10-21(11-9-20)13-16(22)19-18(4)15-7-6-14(12-15)17(18,2)3/h14-15H,5-13H2,1-4H3,(H,19,22)/t14-,15+,18-/m1/s1
InChIKeyLOIHYFUROLKSQC-RVKKMQEKSA-N
XLogP1.95
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide (CID 50935453) is 2-(4-ethylpiperazin-1-yl)-N-[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-N-[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-N-[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide is CCN1CCN(CC(=O)N[C@]2(C)[C@H]3CC[C@H](C3)C2(C)C)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-N-[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide?
The InChIKey is LOIHYFUROLKSQC-RVKKMQEKSA-N. The full InChI is InChI=1S/C18H33N3O/c1-5-20-8-10-21(11-9-20)13-16(22)19-18(4)15-7-6-14(12-15)17(18,2)3/h14-15H,5-13H2,1-4H3,(H,19,22)/t14-,15+,18-/m1/s1.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-N-[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide?
2-(4-ethylpiperazin-1-yl)-N-[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide has a molecular weight of 307.48 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-N-[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide is sourced from PubChem (CID 50935453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).