3-(4-methylpiperazin-1-yl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide

C18H33N3O — CID 162664197

IUPAC3-(4-methylpiperazin-1-yl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide
SMILESCN1CCN(CCC(=O)N[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)CC1
InChIInChI=1S/C18H33N3O/c1-17(2)14-5-7-18(17,3)15(13-14)19-16(22)6-8-21-11-9-20(4)10-12-21/h14-15H,5-13H2,1-4H3,(H,19,22)/t14-,15-,18+/m1/s1
InChIKeyXEIKSCLUTWENBQ-RKVPGOIHSA-N
MW307.48 g/mol
LogP1.95
Rot. Bonds4

About 3-(4-methylpiperazin-1-yl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide

3-(4-methylpiperazin-1-yl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide (PubChem CID 162664197) has the molecular formula C18H33N3O and a molecular weight of 307.48 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide
PubChem CID162664197
Molecular FormulaC18H33N3O
Molecular Weight307.48 g/mol
Exact Mass307.26
IUPAC Name3-(4-methylpiperazin-1-yl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide
SMILESCN1CCN(CCC(=O)N[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)CC1
InChIInChI=1S/C18H33N3O/c1-17(2)14-5-7-18(17,3)15(13-14)19-16(22)6-8-21-11-9-20(4)10-12-21/h14-15H,5-13H2,1-4H3,(H,19,22)/t14-,15-,18+/m1/s1
InChIKeyXEIKSCLUTWENBQ-RKVPGOIHSA-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 3-(4-methylpiperazin-1-yl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide (CID 162664197) is 3-(4-methylpiperazin-1-yl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide is CN1CCN(CCC(=O)N[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide?
The InChIKey is XEIKSCLUTWENBQ-RKVPGOIHSA-N. The full InChI is InChI=1S/C18H33N3O/c1-17(2)14-5-7-18(17,3)15(13-14)19-16(22)6-8-21-11-9-20(4)10-12-21/h14-15H,5-13H2,1-4H3,(H,19,22)/t14-,15-,18+/m1/s1.
What are the key properties of 3-(4-methylpiperazin-1-yl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide?
3-(4-methylpiperazin-1-yl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide 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 3-(4-methylpiperazin-1-yl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide is sourced from PubChem (CID 162664197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).