N-methyl-N-[1-[(7-methyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methyl]piperidin-4-yl]propanamide

C19H28N2O — CID 67858340

IUPACN-methyl-N-[1-[(7-methyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methyl]piperidin-4-yl]propanamide
SMILESCCC(=O)N(C)C1CCN(CC2(C)Cc3ccccc32)CC1
InChIInChI=1S/C19H28N2O/c1-4-18(22)20(3)16-9-11-21(12-10-16)14-19(2)13-15-7-5-6-8-17(15)19/h5-8,16H,4,9-14H2,1-3H3
InChIKeyOKUVHEWXNNUOAE-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.83
Rot. Bonds4

About N-methyl-N-[1-[(7-methyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methyl]piperidin-4-yl]propanamide

N-methyl-N-[1-[(7-methyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methyl]piperidin-4-yl]propanamide (PubChem CID 67858340) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is N-methyl-N-[1-[(7-methyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-methyl-N-[1-[(7-methyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methyl]piperidin-4-yl]propanamide
PubChem CID67858340
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC NameN-methyl-N-[1-[(7-methyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methyl]piperidin-4-yl]propanamide
SMILESCCC(=O)N(C)C1CCN(CC2(C)Cc3ccccc32)CC1
InChIInChI=1S/C19H28N2O/c1-4-18(22)20(3)16-9-11-21(12-10-16)14-19(2)13-15-7-5-6-8-17(15)19/h5-8,16H,4,9-14H2,1-3H3
InChIKeyOKUVHEWXNNUOAE-UHFFFAOYSA-N
XLogP2.83
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-[(7-methyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methyl]piperidin-4-yl]propanamide?
The IUPAC name of N-methyl-N-[1-[(7-methyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methyl]piperidin-4-yl]propanamide (CID 67858340) is N-methyl-N-[1-[(7-methyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-methyl-N-[1-[(7-methyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-methyl-N-[1-[(7-methyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methyl]piperidin-4-yl]propanamide is CCC(=O)N(C)C1CCN(CC2(C)Cc3ccccc32)CC1.
What is the InChIKey of N-methyl-N-[1-[(7-methyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methyl]piperidin-4-yl]propanamide?
The InChIKey is OKUVHEWXNNUOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-4-18(22)20(3)16-9-11-21(12-10-16)14-19(2)13-15-7-5-6-8-17(15)19/h5-8,16H,4,9-14H2,1-3H3.
What are the key properties of N-methyl-N-[1-[(7-methyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methyl]piperidin-4-yl]propanamide?
N-methyl-N-[1-[(7-methyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methyl]piperidin-4-yl]propanamide has a molecular weight of 300.45 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-[(7-methyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 67858340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).