N-(1,3-benzodioxol-5-ylmethyl)-N-(3-phenylphenyl)-3-piperidin-1-ylpropanamide

C28H30N2O3 — CID 4151500

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-(3-phenylphenyl)-3-piperidin-1-ylpropanamide
SMILESO=C(CCN1CCCCC1)N(Cc1ccc2c(c1)OCO2)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C28H30N2O3/c31-28(14-17-29-15-5-2-6-16-29)30(20-22-12-13-26-27(18-22)33-21-32-26)25-11-7-10-24(19-25)23-8-3-1-4-9-23/h1,3-4,7-13,18-19H,2,5-6,14-17,20-21H2
InChIKeyZVTVKOHQCISCFM-UHFFFAOYSA-N
MW442.56 g/mol
LogP5.49
Rot. Bonds7

About N-(1,3-benzodioxol-5-ylmethyl)-N-(3-phenylphenyl)-3-piperidin-1-ylpropanamide

N-(1,3-benzodioxol-5-ylmethyl)-N-(3-phenylphenyl)-3-piperidin-1-ylpropanamide (PubChem CID 4151500) has the molecular formula C28H30N2O3 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-(3-phenylphenyl)-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-(3-phenylphenyl)-3-piperidin-1-ylpropanamide
PubChem CID4151500
Molecular FormulaC28H30N2O3
Molecular Weight442.56 g/mol
Exact Mass442.23
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-(3-phenylphenyl)-3-piperidin-1-ylpropanamide
SMILESO=C(CCN1CCCCC1)N(Cc1ccc2c(c1)OCO2)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C28H30N2O3/c31-28(14-17-29-15-5-2-6-16-29)30(20-22-12-13-26-27(18-22)33-21-32-26)25-11-7-10-24(19-25)23-8-3-1-4-9-23/h1,3-4,7-13,18-19H,2,5-6,14-17,20-21H2
InChIKeyZVTVKOHQCISCFM-UHFFFAOYSA-N
XLogP5.49
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.56
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(2-aminoacetyl)phenyl]methyl]-N-[3-(1,3-benzodioxol-5-yl)phenyl]piperidine-1-carboxamide
CID 158288908
1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine
CID 12816916
2-(1,3-benzodioxol-5-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 42780885
N-[3-(1,3-benzodioxol-5-yl)phenyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]azetidine-1-carboxamide
CID 86281473
N-(1,3-benzodioxol-5-ylmethyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 42724305
N-methyl-N-phenyl-3-piperidin-1-ylpropanamide
CID 110688340
3-(1,3-benzodioxol-5-ylamino)-N-benzyl-N-phenylpropanamide
CID 109041955
N,2-diphenyl-N-(2-piperidin-1-ylethyl)acetamide
CID 23882390
1-(1,3-benzodioxol-5-ylmethyl)azepane
CID 765340
N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-4-phenylbenzamide
CID 3251656
N-benzyl-3-(4-methylpiperidin-1-yl)-N-phenylpropanamide
CID 109014601
N-(1,3-benzodioxol-5-yl)-N-[(9-ethylcarbazol-3-yl)methyl]-3-phenylpropanamide
CID 22474557

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-(3-phenylphenyl)-3-piperidin-1-ylpropanamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-(3-phenylphenyl)-3-piperidin-1-ylpropanamide (CID 4151500) is N-(1,3-benzodioxol-5-ylmethyl)-N-(3-phenylphenyl)-3-piperidin-1-ylpropanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-(3-phenylphenyl)-3-piperidin-1-ylpropanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-(3-phenylphenyl)-3-piperidin-1-ylpropanamide is O=C(CCN1CCCCC1)N(Cc1ccc2c(c1)OCO2)c1cccc(-c2ccccc2)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-(3-phenylphenyl)-3-piperidin-1-ylpropanamide?
The InChIKey is ZVTVKOHQCISCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O3/c31-28(14-17-29-15-5-2-6-16-29)30(20-22-12-13-26-27(18-22)33-21-32-26)25-11-7-10-24(19-25)23-8-3-1-4-9-23/h1,3-4,7-13,18-19H,2,5-6,14-17,20-21H2.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-(3-phenylphenyl)-3-piperidin-1-ylpropanamide?
N-(1,3-benzodioxol-5-ylmethyl)-N-(3-phenylphenyl)-3-piperidin-1-ylpropanamide has a molecular weight of 442.56 g/mol, XLogP of 5.49, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N-(3-phenylphenyl)-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 4151500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).