[3-[2-[[4-(dimethylamino)-4-phenylpiperidin-1-yl]methyl]phenoxy]-3-phenylpropyl] N-methylcarbamate

C31H39N3O3 — CID 138687799

IUPAC[3-[2-[[4-(dimethylamino)-4-phenylpiperidin-1-yl]methyl]phenoxy]-3-phenylpropyl] N-methylcarbamate
SMILESCNC(=O)OCCC(Oc1ccccc1CN1CCC(c2ccccc2)(N(C)C)CC1)c1ccccc1
InChIInChI=1S/C31H39N3O3/c1-32-30(35)36-23-18-29(25-12-6-4-7-13-25)37-28-17-11-10-14-26(28)24-34-21-19-31(20-22-34,33(2)3)27-15-8-5-9-16-27/h4-17,29H,18-24H2,1-3H3,(H,32,35)
InChIKeyFBWIZLBEKRBUBO-UHFFFAOYSA-N
MW501.67 g/mol
LogP5.61
Rot. Bonds10

About [3-[2-[[4-(dimethylamino)-4-phenylpiperidin-1-yl]methyl]phenoxy]-3-phenylpropyl] N-methylcarbamate

[3-[2-[[4-(dimethylamino)-4-phenylpiperidin-1-yl]methyl]phenoxy]-3-phenylpropyl] N-methylcarbamate (PubChem CID 138687799) has the molecular formula C31H39N3O3 and a molecular weight of 501.67 g/mol. Its IUPAC name is [3-[2-[[4-(dimethylamino)-4-phenylpiperidin-1-yl]methyl]phenoxy]-3-phenylpropyl] N-methylcarbamate.

Molecular Properties

Compound Name[3-[2-[[4-(dimethylamino)-4-phenylpiperidin-1-yl]methyl]phenoxy]-3-phenylpropyl] N-methylcarbamate
PubChem CID138687799
Molecular FormulaC31H39N3O3
Molecular Weight501.67 g/mol
Exact Mass501.30
IUPAC Name[3-[2-[[4-(dimethylamino)-4-phenylpiperidin-1-yl]methyl]phenoxy]-3-phenylpropyl] N-methylcarbamate
SMILESCNC(=O)OCCC(Oc1ccccc1CN1CCC(c2ccccc2)(N(C)C)CC1)c1ccccc1
InChIInChI=1S/C31H39N3O3/c1-32-30(35)36-23-18-29(25-12-6-4-7-13-25)37-28-17-11-10-14-26(28)24-34-21-19-31(20-22-34,33(2)3)27-15-8-5-9-16-27/h4-17,29H,18-24H2,1-3H3,(H,32,35)
InChIKeyFBWIZLBEKRBUBO-UHFFFAOYSA-N
XLogP5.61
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.67
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[2-[[4-(dimethylamino)-4-phenylpiperidin-1-yl]methyl]phenoxy]-3-phenylpropyl] N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[2-[3-(ethylamino)-1-thiophen-2-ylpropoxy]phenyl]methyl]-N,N-dimethyl-4-phenylpiperidin-4-amine
CID 138723905
[3-[4-(chloromethyl)-3-methylphenoxy]-3-phenylpropyl] N-methylcarbamate
CID 166721233
[1-[[2-[3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]methyl]-4-phenylpiperidin-4-yl]methanol
CID 146308829
1-[[2-(difluoromethoxy)phenyl]methyl]-N,4-dimethylpiperidin-4-amine
CID 115303878
[3-[3-(2-hydroxyethyl)phenoxy]-3-phenylpropyl] N-methylcarbamate
CID 138560407
2-(aminomethyl)-1-[4-(dimethylamino)-4-phenylpiperidin-1-yl]-3-phenylpentan-1-one;dihydrochloride
CID 166680112
4-anilino-1-[(2-methoxyphenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 155878897
methyl N-[3-phenyl-3-[2-[[[1-(2-phenylethyl)piperidin-4-yl]-propanoylamino]methyl]phenoxy]propyl]carbamate
CID 146308673
[3-[2-(2-hydroxyethyl)phenoxy]-3-phenylpropyl]-methylcarbamic acid
CID 138687817
[1-[(2-butan-2-yloxyphenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
CID 91763901
[2-(piperidin-1-ylmethyl)phenyl] N,N-dimethylcarbamate
CID 11043577
(2R)-2-[2-(thiomorpholin-4-ylmethyl)phenoxy]propanoic acid
CID 99931808

Frequently Asked Questions

What is the IUPAC name of [3-[2-[[4-(dimethylamino)-4-phenylpiperidin-1-yl]methyl]phenoxy]-3-phenylpropyl] N-methylcarbamate?
The IUPAC name of [3-[2-[[4-(dimethylamino)-4-phenylpiperidin-1-yl]methyl]phenoxy]-3-phenylpropyl] N-methylcarbamate (CID 138687799) is [3-[2-[[4-(dimethylamino)-4-phenylpiperidin-1-yl]methyl]phenoxy]-3-phenylpropyl] N-methylcarbamate.
What is the SMILES notation for [3-[2-[[4-(dimethylamino)-4-phenylpiperidin-1-yl]methyl]phenoxy]-3-phenylpropyl] N-methylcarbamate?
The canonical SMILES for [3-[2-[[4-(dimethylamino)-4-phenylpiperidin-1-yl]methyl]phenoxy]-3-phenylpropyl] N-methylcarbamate is CNC(=O)OCCC(Oc1ccccc1CN1CCC(c2ccccc2)(N(C)C)CC1)c1ccccc1.
What is the InChIKey of [3-[2-[[4-(dimethylamino)-4-phenylpiperidin-1-yl]methyl]phenoxy]-3-phenylpropyl] N-methylcarbamate?
The InChIKey is FBWIZLBEKRBUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39N3O3/c1-32-30(35)36-23-18-29(25-12-6-4-7-13-25)37-28-17-11-10-14-26(28)24-34-21-19-31(20-22-34,33(2)3)27-15-8-5-9-16-27/h4-17,29H,18-24H2,1-3H3,(H,32,35).
What are the key properties of [3-[2-[[4-(dimethylamino)-4-phenylpiperidin-1-yl]methyl]phenoxy]-3-phenylpropyl] N-methylcarbamate?
[3-[2-[[4-(dimethylamino)-4-phenylpiperidin-1-yl]methyl]phenoxy]-3-phenylpropyl] N-methylcarbamate has a molecular weight of 501.67 g/mol, XLogP of 5.61, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[[4-(dimethylamino)-4-phenylpiperidin-1-yl]methyl]phenoxy]-3-phenylpropyl] N-methylcarbamate is sourced from PubChem (CID 138687799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).