3-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide

C27H36N4O2 — CID 60617850

IUPAC3-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCC1CCN(Cc2cccc(CNC(=O)C3CCCN(C(=O)Nc4ccccc4)C3)c2)CC1
InChIInChI=1S/C27H36N4O2/c1-21-12-15-30(16-13-21)19-23-8-5-7-22(17-23)18-28-26(32)24-9-6-14-31(20-24)27(33)29-25-10-3-2-4-11-25/h2-5,7-8,10-11,17,21,24H,6,9,12-16,18-20H2,1H3,(H,28,32)(H,29,33)
InChIKeyZUDVGOGUNTWFSX-UHFFFAOYSA-N
MW448.61 g/mol
LogP4.48
Rot. Bonds6

About 3-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide

3-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide (PubChem CID 60617850) has the molecular formula C27H36N4O2 and a molecular weight of 448.61 g/mol. Its IUPAC name is 3-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
PubChem CID60617850
Molecular FormulaC27H36N4O2
Molecular Weight448.61 g/mol
Exact Mass448.28
IUPAC Name3-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCC1CCN(Cc2cccc(CNC(=O)C3CCCN(C(=O)Nc4ccccc4)C3)c2)CC1
InChIInChI=1S/C27H36N4O2/c1-21-12-15-30(16-13-21)19-23-8-5-7-22(17-23)18-28-26(32)24-9-6-14-31(20-24)27(33)29-25-10-3-2-4-11-25/h2-5,7-8,10-11,17,21,24H,6,9,12-16,18-20H2,1H3,(H,28,32)(H,29,33)
InChIKeyZUDVGOGUNTWFSX-UHFFFAOYSA-N
XLogP4.48
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.61
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide with MolForge

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Related Compounds

(3R)-3-N-benzyl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 51686692
3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 84927779
1-[(4-methylphenyl)methyl]-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43917627
1-[(3-chlorophenyl)methyl]-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43917663
1-methylsulfonyl-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 133190377
(3S)-1-ethylsulfonyl-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 125074145
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43917396
(3S)-3-N-(furan-2-ylmethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7435298
1-N-phenyl-4-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-1,4-dicarboxamide
CID 26447107
(3R)-3-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9069548
1-[(3-methoxyphenyl)methyl]-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43917843
3-N-(2-anilino-2-oxoethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55991364

Frequently Asked Questions

What is the IUPAC name of 3-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide (CID 60617850) is 3-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide is CC1CCN(Cc2cccc(CNC(=O)C3CCCN(C(=O)Nc4ccccc4)C3)c2)CC1.
What is the InChIKey of 3-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The InChIKey is ZUDVGOGUNTWFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O2/c1-21-12-15-30(16-13-21)19-23-8-5-7-22(17-23)18-28-26(32)24-9-6-14-31(20-24)27(33)29-25-10-3-2-4-11-25/h2-5,7-8,10-11,17,21,24H,6,9,12-16,18-20H2,1H3,(H,28,32)(H,29,33).
What are the key properties of 3-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
3-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide has a molecular weight of 448.61 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 60617850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).