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

C25H34N4O2 — CID 9074260

IUPAC(3S)-3-N-[[2-(diethylaminomethyl)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C25H34N4O2/c1-3-28(4-2)18-21-12-9-8-11-20(21)17-26-24(30)22-13-10-16-29(19-22)25(31)27-23-14-6-5-7-15-23/h5-9,11-12,14-15,22H,3-4,10,13,16-19H2,1-2H3,(H,26,30)(H,27,31)/t22-/m0/s1
InChIKeyUXGJUPAPDZJEPK-QFIPXVFZSA-N
MW422.57 g/mol
LogP4.09
Rot. Bonds8

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

(3S)-3-N-[[2-(diethylaminomethyl)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide (PubChem CID 9074260) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is (3S)-3-N-[[2-(diethylaminomethyl)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-3-N-[[2-(diethylaminomethyl)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
PubChem CID9074260
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC Name(3S)-3-N-[[2-(diethylaminomethyl)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C25H34N4O2/c1-3-28(4-2)18-21-12-9-8-11-20(21)17-26-24(30)22-13-10-16-29(19-22)25(31)27-23-14-6-5-7-15-23/h5-9,11-12,14-15,22H,3-4,10,13,16-19H2,1-2H3,(H,26,30)(H,27,31)/t22-/m0/s1
InChIKeyUXGJUPAPDZJEPK-QFIPXVFZSA-N
XLogP4.09
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9069548
(3S)-3-N-[(2-methoxyphenyl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9083501
1-N-phenyl-3-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-1,3-dicarboxamide
CID 55454864
(3R)-1-N-phenyl-3-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-1,3-dicarboxamide
CID 8532806
3-N-ethyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 50846126
3-N-[[2-(3-methylbutoxy)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 60618232
3-N-(2-anilino-2-oxoethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55991364
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 47989411
(3R)-1-N-phenyl-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide
CID 7435297
(3S)-3-N-(furan-2-ylmethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7435298
3-N-[3-(methylamino)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 119431536
(3S)-3-N-[(2-fluorophenyl)methyl]-1-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 51552826

Frequently Asked Questions

What is the IUPAC name of (3S)-3-N-[[2-(diethylaminomethyl)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-3-N-[[2-(diethylaminomethyl)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide (CID 9074260) is (3S)-3-N-[[2-(diethylaminomethyl)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-3-N-[[2-(diethylaminomethyl)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-3-N-[[2-(diethylaminomethyl)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide is CCN(CC)Cc1ccccc1CNC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1.
What is the InChIKey of (3S)-3-N-[[2-(diethylaminomethyl)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The InChIKey is UXGJUPAPDZJEPK-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-3-28(4-2)18-21-12-9-8-11-20(21)17-26-24(30)22-13-10-16-29(19-22)25(31)27-23-14-6-5-7-15-23/h5-9,11-12,14-15,22H,3-4,10,13,16-19H2,1-2H3,(H,26,30)(H,27,31)/t22-/m0/s1.
What are the key properties of (3S)-3-N-[[2-(diethylaminomethyl)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
(3S)-3-N-[[2-(diethylaminomethyl)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide has a molecular weight of 422.57 g/mol, XLogP of 4.09, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-N-[[2-(diethylaminomethyl)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 9074260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).