(3R)-1-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propyl]piperidine-3-carboxylic acid

C24H29NO2 — CID 22869120

IUPAC(3R)-1-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(CCCC2c3ccccc3CCc3ccccc32)C1
InChIInChI=1S/C24H29NO2/c26-24(27)20-9-5-15-25(17-20)16-6-12-23-21-10-3-1-7-18(21)13-14-19-8-2-4-11-22(19)23/h1-4,7-8,10-11,20,23H,5-6,9,12-17H2,(H,26,27)/t20-/m1/s1
InChIKeyDRTNQSXMCDVPDW-HXUWFJFHSA-N
MW363.50 g/mol
LogP4.49
Rot. Bonds5

About (3R)-1-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propyl]piperidine-3-carboxylic acid

(3R)-1-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propyl]piperidine-3-carboxylic acid (PubChem CID 22869120) has the molecular formula C24H29NO2 and a molecular weight of 363.50 g/mol. Its IUPAC name is (3R)-1-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propyl]piperidine-3-carboxylic acid
PubChem CID22869120
Molecular FormulaC24H29NO2
Molecular Weight363.50 g/mol
Exact Mass363.22
IUPAC Name(3R)-1-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(CCCC2c3ccccc3CCc3ccccc32)C1
InChIInChI=1S/C24H29NO2/c26-24(27)20-9-5-15-25(17-20)16-6-12-23-21-10-3-1-7-18(21)13-14-19-8-2-4-11-22(19)23/h1-4,7-8,10-11,20,23H,5-6,9,12-17H2,(H,26,27)/t20-/m1/s1
InChIKeyDRTNQSXMCDVPDW-HXUWFJFHSA-N
XLogP4.49
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-1-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propyl]piperidine-3-carboxylic acid with MolForge

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Related Compounds

(3R)-1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]piperidine-3-carboxylic acid;hydrochloride
CID 70299237
(3R)-1-[3-(10,12-dihydrobenzo[b][1,5]benzoxazocin-11-yl)propyl]piperidine-3-carboxylic acid
CID 22880169
(3R)-1-[3-(6H-benzo[c][1,5]benzodithiepin-6-yl)propyl]piperidine-3-carboxylic acid
CID 70143031
(3R)-1-(4-phenoxybutyl)piperidine-3-carboxylic acid;hydrochloride
CID 67723520
1-[3-(6-oxo-11H-benzo[c][1]benzazepin-5-yl)propyl]piperidine-3-carboxylic acid
CID 22102490
1-[3-(N-phenylanilino)propyl]piperidine-3-carboxylic acid;hydrochloride
CID 70230026
(3S)-1-[4-(1,3-dihydroisoindol-2-yl)butanoyl]piperidine-3-carboxylic acid
CID 126450015
(3R)-1-[6-(N-phenylanilino)hexyl]piperidine-3-carboxylic acid;hydrochloride
CID 45261987
(3R)-1-[3-(3,3-diphenylprop-2-enoxy)propyl]piperidine-3-carboxylic acid
CID 54444555
(3R)-1-[3-(6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)propyl]piperidine-3-carboxylic acid
CID 22880167
1-[3-[4-(6H-benzo[c][1]benzothiepin-11-ylidene)piperidin-1-yl]propyl]piperidine-3-carboxylic acid;dihydrochloride
CID 70161371
1-[1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]piperidin-3-yl]ethanone;hydrochloride
CID 159118932

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propyl]piperidine-3-carboxylic acid (CID 22869120) is (3R)-1-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propyl]piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(CCCC2c3ccccc3CCc3ccccc32)C1.
What is the InChIKey of (3R)-1-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propyl]piperidine-3-carboxylic acid?
The InChIKey is DRTNQSXMCDVPDW-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H29NO2/c26-24(27)20-9-5-15-25(17-20)16-6-12-23-21-10-3-1-7-18(21)13-14-19-8-2-4-11-22(19)23/h1-4,7-8,10-11,20,23H,5-6,9,12-17H2,(H,26,27)/t20-/m1/s1.
What are the key properties of (3R)-1-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propyl]piperidine-3-carboxylic acid?
(3R)-1-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propyl]piperidine-3-carboxylic acid has a molecular weight of 363.50 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 22869120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).