3-N-[[2-(3-methylbutoxy)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide

C25H33N3O3 — CID 60618232

IUPAC3-N-[[2-(3-methylbutoxy)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCC(C)CCOc1ccccc1CNC(=O)C1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C25H33N3O3/c1-19(2)14-16-31-23-13-7-6-9-20(23)17-26-24(29)21-10-8-15-28(18-21)25(30)27-22-11-4-3-5-12-22/h3-7,9,11-13,19,21H,8,10,14-18H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyGHYPSHAKXCOBTN-UHFFFAOYSA-N
MW423.56 g/mol
LogP4.67
Rot. Bonds8

About 3-N-[[2-(3-methylbutoxy)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide

3-N-[[2-(3-methylbutoxy)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide (PubChem CID 60618232) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is 3-N-[[2-(3-methylbutoxy)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[[2-(3-methylbutoxy)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
PubChem CID60618232
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC Name3-N-[[2-(3-methylbutoxy)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCC(C)CCOc1ccccc1CNC(=O)C1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C25H33N3O3/c1-19(2)14-16-31-23-13-7-6-9-20(23)17-26-24(29)21-10-8-15-28(18-21)25(30)27-22-11-4-3-5-12-22/h3-7,9,11-13,19,21H,8,10,14-18H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyGHYPSHAKXCOBTN-UHFFFAOYSA-N
XLogP4.67
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-N-[(2-methoxyphenyl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9083501
3-hydroxy-N-[[2-(3-methylbutoxy)phenyl]methyl]piperidine-1-carboxamide
CID 110922264
(3R)-3-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9069548
(3R)-1-N-phenyl-3-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-1,3-dicarboxamide
CID 8532806
1-N-phenyl-3-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-1,3-dicarboxamide
CID 55454864
3-N-(5-methylhexan-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 24659153
(3S)-3-N-[[2-(diethylaminomethyl)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9074260
N-[(2-ethoxyphenyl)methyl]-1-(2-methylbutanoyl)piperidine-3-carboxamide
CID 51106693
(3R)-N-[(2-ethoxyphenyl)methyl]-1-[(2S)-2-methylbutanoyl]piperidine-3-carboxamide
CID 94822300
(3S)-3-N-(furan-2-ylmethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7435298
(3S)-3-N-[(2-fluorophenyl)methyl]-1-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 51552826
3-N-(3-cyclohexyloxypropyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 51239700

Frequently Asked Questions

What is the IUPAC name of 3-N-[[2-(3-methylbutoxy)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-[[2-(3-methylbutoxy)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide (CID 60618232) is 3-N-[[2-(3-methylbutoxy)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[[2-(3-methylbutoxy)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[[2-(3-methylbutoxy)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide is CC(C)CCOc1ccccc1CNC(=O)C1CCCN(C(=O)Nc2ccccc2)C1.
What is the InChIKey of 3-N-[[2-(3-methylbutoxy)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The InChIKey is GHYPSHAKXCOBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-19(2)14-16-31-23-13-7-6-9-20(23)17-26-24(29)21-10-8-15-28(18-21)25(30)27-22-11-4-3-5-12-22/h3-7,9,11-13,19,21H,8,10,14-18H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of 3-N-[[2-(3-methylbutoxy)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
3-N-[[2-(3-methylbutoxy)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide has a molecular weight of 423.56 g/mol, XLogP of 4.67, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[[2-(3-methylbutoxy)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 60618232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).