3-[3-methyl-4-[(Z)-2-phenylethenyl]piperidin-1-yl]-1-propylcyclopentane-1-carboxylic acid

C23H33NO2 — CID 142115945

IUPAC3-[3-methyl-4-[(Z)-2-phenylethenyl]piperidin-1-yl]-1-propylcyclopentane-1-carboxylic acid
SMILESCCCC1(C(=O)O)CCC(N2CCC(/C=C\c3ccccc3)C(C)C2)C1
InChIInChI=1S/C23H33NO2/c1-3-13-23(22(25)26)14-11-21(16-23)24-15-12-20(18(2)17-24)10-9-19-7-5-4-6-8-19/h4-10,18,20-21H,3,11-17H2,1-2H3,(H,25,26)/b10-9-
InChIKeyXJKIQHUHEHBLMH-KTKRTIGZSA-N
MW355.52 g/mol
LogP5.08
Rot. Bonds6

About 3-[3-methyl-4-[(Z)-2-phenylethenyl]piperidin-1-yl]-1-propylcyclopentane-1-carboxylic acid

3-[3-methyl-4-[(Z)-2-phenylethenyl]piperidin-1-yl]-1-propylcyclopentane-1-carboxylic acid (PubChem CID 142115945) has the molecular formula C23H33NO2 and a molecular weight of 355.52 g/mol. Its IUPAC name is 3-[3-methyl-4-[(Z)-2-phenylethenyl]piperidin-1-yl]-1-propylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[3-methyl-4-[(Z)-2-phenylethenyl]piperidin-1-yl]-1-propylcyclopentane-1-carboxylic acid
PubChem CID142115945
Molecular FormulaC23H33NO2
Molecular Weight355.52 g/mol
Exact Mass355.25
IUPAC Name3-[3-methyl-4-[(Z)-2-phenylethenyl]piperidin-1-yl]-1-propylcyclopentane-1-carboxylic acid
SMILESCCCC1(C(=O)O)CCC(N2CCC(/C=C\c3ccccc3)C(C)C2)C1
InChIInChI=1S/C23H33NO2/c1-3-13-23(22(25)26)14-11-21(16-23)24-15-12-20(18(2)17-24)10-9-19-7-5-4-6-8-19/h4-10,18,20-21H,3,11-17H2,1-2H3,(H,25,26)/b10-9-
InChIKeyXJKIQHUHEHBLMH-KTKRTIGZSA-N
XLogP5.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.52
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-cyclopropyl-3-methylcyclopentyl)-3-methyl-4-[(Z)-2-phenylethenyl]piperidine
CID 142115910
methyl 3-[(3R,4S)-3-methyl-4-[(Z)-2-phenylethenyl]piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxylate
CID 142115956
N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-1-ethyl-3-[(4S)-3-methyl-4-[(Z)-2-phenylethenyl]piperidin-1-yl]cyclopentane-1-carboxamide;ethane
CID 142115931
3-[(3R)-3-methyl-4-[(Z)-2-phenylethenyl]piperidin-1-yl]-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]cyclopentane-1-carboxylic acid
CID 142115836
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-[1-(cyclopropylmethyl)-3-[3-methyl-4-[(Z)-2-phenylethenyl]piperidin-1-yl]cyclopentyl]ethenamine
CID 142115975
1-(2,3-dihydro-1H-inden-2-yl)-3-propylpiperidine-3-carboxylic acid
CID 65068501
1-(3-phenylprop-2-enyl)-4-propylcyclohexane-1-carboxylic acid
CID 79423217
1-ethyl-3-[3-methyl-5-[(1Z,4Z,6Z)-nona-1,4,6-trien-8-ynyl]azepan-1-yl]cyclopentane-1-carboxylic acid
CID 142115959
1-(4-cyclopropyl-2-methylpiperazin-1-yl)-3-phenylprop-2-en-1-one
CID 171156673
[(E)-2-[(1R,2R)-2-methyl-2-propylcyclopropyl]ethenyl]benzene
CID 10821924
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propylpiperidine-4-carboxylic acid
CID 65065214
1-(2-methylcyclohexyl)-3-propylpiperidine-3-carboxylic acid
CID 65069035

Frequently Asked Questions

What is the IUPAC name of 3-[3-methyl-4-[(Z)-2-phenylethenyl]piperidin-1-yl]-1-propylcyclopentane-1-carboxylic acid?
The IUPAC name of 3-[3-methyl-4-[(Z)-2-phenylethenyl]piperidin-1-yl]-1-propylcyclopentane-1-carboxylic acid (CID 142115945) is 3-[3-methyl-4-[(Z)-2-phenylethenyl]piperidin-1-yl]-1-propylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[3-methyl-4-[(Z)-2-phenylethenyl]piperidin-1-yl]-1-propylcyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[3-methyl-4-[(Z)-2-phenylethenyl]piperidin-1-yl]-1-propylcyclopentane-1-carboxylic acid is CCCC1(C(=O)O)CCC(N2CCC(/C=C\c3ccccc3)C(C)C2)C1.
What is the InChIKey of 3-[3-methyl-4-[(Z)-2-phenylethenyl]piperidin-1-yl]-1-propylcyclopentane-1-carboxylic acid?
The InChIKey is XJKIQHUHEHBLMH-KTKRTIGZSA-N. The full InChI is InChI=1S/C23H33NO2/c1-3-13-23(22(25)26)14-11-21(16-23)24-15-12-20(18(2)17-24)10-9-19-7-5-4-6-8-19/h4-10,18,20-21H,3,11-17H2,1-2H3,(H,25,26)/b10-9-.
What are the key properties of 3-[3-methyl-4-[(Z)-2-phenylethenyl]piperidin-1-yl]-1-propylcyclopentane-1-carboxylic acid?
3-[3-methyl-4-[(Z)-2-phenylethenyl]piperidin-1-yl]-1-propylcyclopentane-1-carboxylic acid has a molecular weight of 355.52 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methyl-4-[(Z)-2-phenylethenyl]piperidin-1-yl]-1-propylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 142115945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).