[1-(4-methylphenyl)-3-phenyl-3-piperidin-1-ylpropyl]carbamic acid

C22H28N2O2 — CID 57092140

IUPAC[1-(4-methylphenyl)-3-phenyl-3-piperidin-1-ylpropyl]carbamic acid
SMILESCc1ccc(C(CC(c2ccccc2)N2CCCCC2)NC(=O)O)cc1
InChIInChI=1S/C22H28N2O2/c1-17-10-12-18(13-11-17)20(23-22(25)26)16-21(19-8-4-2-5-9-19)24-14-6-3-7-15-24/h2,4-5,8-13,20-21,23H,3,6-7,14-16H2,1H3,(H,25,26)
InChIKeyZSHVFQRCPRHWCG-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.92
Rot. Bonds6

About [1-(4-methylphenyl)-3-phenyl-3-piperidin-1-ylpropyl]carbamic acid

[1-(4-methylphenyl)-3-phenyl-3-piperidin-1-ylpropyl]carbamic acid (PubChem CID 57092140) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is [1-(4-methylphenyl)-3-phenyl-3-piperidin-1-ylpropyl]carbamic acid.

Molecular Properties

Compound Name[1-(4-methylphenyl)-3-phenyl-3-piperidin-1-ylpropyl]carbamic acid
PubChem CID57092140
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name[1-(4-methylphenyl)-3-phenyl-3-piperidin-1-ylpropyl]carbamic acid
SMILESCc1ccc(C(CC(c2ccccc2)N2CCCCC2)NC(=O)O)cc1
InChIInChI=1S/C22H28N2O2/c1-17-10-12-18(13-11-17)20(23-22(25)26)16-21(19-8-4-2-5-9-19)24-14-6-3-7-15-24/h2,4-5,8-13,20-21,23H,3,6-7,14-16H2,1H3,(H,25,26)
InChIKeyZSHVFQRCPRHWCG-UHFFFAOYSA-N
XLogP4.92
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]-2-phenylacetamide
CID 34952082
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35180369
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide
CID 43843128
2-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 17011550
N-[(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-phenoxyacetamide
CID 35126659
N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]-2-phenoxyacetamide
CID 17012003
N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-chlorobenzamide;hydrochloride
CID 52984776
1-(3-methyl-1-phenylbutyl)piperidine
CID 3056530
1-[(1S)-3-methyl-1-phenylbutyl]piperidine
CID 92967702
1-[(4-methylphenyl)methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 46555638
ethyl 2-[[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]amino]-2-oxoacetate
CID 112504461
2-fluoro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 34951546

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylphenyl)-3-phenyl-3-piperidin-1-ylpropyl]carbamic acid?
The IUPAC name of [1-(4-methylphenyl)-3-phenyl-3-piperidin-1-ylpropyl]carbamic acid (CID 57092140) is [1-(4-methylphenyl)-3-phenyl-3-piperidin-1-ylpropyl]carbamic acid.
What is the SMILES notation for [1-(4-methylphenyl)-3-phenyl-3-piperidin-1-ylpropyl]carbamic acid?
The canonical SMILES for [1-(4-methylphenyl)-3-phenyl-3-piperidin-1-ylpropyl]carbamic acid is Cc1ccc(C(CC(c2ccccc2)N2CCCCC2)NC(=O)O)cc1.
What is the InChIKey of [1-(4-methylphenyl)-3-phenyl-3-piperidin-1-ylpropyl]carbamic acid?
The InChIKey is ZSHVFQRCPRHWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-17-10-12-18(13-11-17)20(23-22(25)26)16-21(19-8-4-2-5-9-19)24-14-6-3-7-15-24/h2,4-5,8-13,20-21,23H,3,6-7,14-16H2,1H3,(H,25,26).
What are the key properties of [1-(4-methylphenyl)-3-phenyl-3-piperidin-1-ylpropyl]carbamic acid?
[1-(4-methylphenyl)-3-phenyl-3-piperidin-1-ylpropyl]carbamic acid has a molecular weight of 352.48 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylphenyl)-3-phenyl-3-piperidin-1-ylpropyl]carbamic acid is sourced from PubChem (CID 57092140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).