[1-(1-methyl-2,3-dihydro-1H-inden-2-yl)-4-phenylpiperidin-4-yl] propanoate

C24H29NO2 — CID 3039577

IUPAC[1-(1-methyl-2,3-dihydro-1H-inden-2-yl)-4-phenylpiperidin-4-yl] propanoate
SMILESCCC(=O)OC1(c2ccccc2)CCN(C2Cc3ccccc3C2C)CC1
InChIInChI=1S/C24H29NO2/c1-3-23(26)27-24(20-10-5-4-6-11-20)13-15-25(16-14-24)22-17-19-9-7-8-12-21(19)18(22)2/h4-12,18,22H,3,13-17H2,1-2H3
InChIKeyAWPUSLFUYVPPQP-UHFFFAOYSA-N
MW363.50 g/mol
LogP4.66
Rot. Bonds4

About [1-(1-methyl-2,3-dihydro-1H-inden-2-yl)-4-phenylpiperidin-4-yl] propanoate

[1-(1-methyl-2,3-dihydro-1H-inden-2-yl)-4-phenylpiperidin-4-yl] propanoate (PubChem CID 3039577) has the molecular formula C24H29NO2 and a molecular weight of 363.50 g/mol. Its IUPAC name is [1-(1-methyl-2,3-dihydro-1H-inden-2-yl)-4-phenylpiperidin-4-yl] propanoate.

Molecular Properties

Compound Name[1-(1-methyl-2,3-dihydro-1H-inden-2-yl)-4-phenylpiperidin-4-yl] propanoate
PubChem CID3039577
Molecular FormulaC24H29NO2
Molecular Weight363.50 g/mol
Exact Mass363.22
IUPAC Name[1-(1-methyl-2,3-dihydro-1H-inden-2-yl)-4-phenylpiperidin-4-yl] propanoate
SMILESCCC(=O)OC1(c2ccccc2)CCN(C2Cc3ccccc3C2C)CC1
InChIInChI=1S/C24H29NO2/c1-3-23(26)27-24(20-10-5-4-6-11-20)13-15-25(16-14-24)22-17-19-9-7-8-12-21(19)18(22)2/h4-12,18,22H,3,13-17H2,1-2H3
InChIKeyAWPUSLFUYVPPQP-UHFFFAOYSA-N
XLogP4.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Propoxyphene
CID 10100
Alphaprodine
CID 120738
Levopropoxyphene
CID 200742
1-(-2-Phenethyl)-4-phenyl-4-acetoxypiperidine
CID 60977
4-Piperidinol, 1,3-dimethyl-4-phenyl-, 4-propanoate, hydrochloride (1:1), (3R,4S)-rel-
CID 120737
Betaprodine
CID 5284516
1,3-Dimethyl-4-phenylpiperidin-4-yl propanoate
CID 6471
Benzeneethanol, alpha-(2-(dimethylamino)-1-methylethyl)-alpha-phenyl-, 1-propanoate
CID 15330
Dextropropoxyphene-M
CID 25137868
Trimeperidine
CID 20055107
Allylprodine
CID 32938
Promedol
CID 98520

Frequently Asked Questions

What is the IUPAC name of [1-(1-methyl-2,3-dihydro-1H-inden-2-yl)-4-phenylpiperidin-4-yl] propanoate?
The IUPAC name of [1-(1-methyl-2,3-dihydro-1H-inden-2-yl)-4-phenylpiperidin-4-yl] propanoate (CID 3039577) is [1-(1-methyl-2,3-dihydro-1H-inden-2-yl)-4-phenylpiperidin-4-yl] propanoate.
What is the SMILES notation for [1-(1-methyl-2,3-dihydro-1H-inden-2-yl)-4-phenylpiperidin-4-yl] propanoate?
The canonical SMILES for [1-(1-methyl-2,3-dihydro-1H-inden-2-yl)-4-phenylpiperidin-4-yl] propanoate is CCC(=O)OC1(c2ccccc2)CCN(C2Cc3ccccc3C2C)CC1.
What is the InChIKey of [1-(1-methyl-2,3-dihydro-1H-inden-2-yl)-4-phenylpiperidin-4-yl] propanoate?
The InChIKey is AWPUSLFUYVPPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO2/c1-3-23(26)27-24(20-10-5-4-6-11-20)13-15-25(16-14-24)22-17-19-9-7-8-12-21(19)18(22)2/h4-12,18,22H,3,13-17H2,1-2H3.
What are the key properties of [1-(1-methyl-2,3-dihydro-1H-inden-2-yl)-4-phenylpiperidin-4-yl] propanoate?
[1-(1-methyl-2,3-dihydro-1H-inden-2-yl)-4-phenylpiperidin-4-yl] propanoate has a molecular weight of 363.50 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-methyl-2,3-dihydro-1H-inden-2-yl)-4-phenylpiperidin-4-yl] propanoate is sourced from PubChem (CID 3039577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).