4-N-methyl-4-N-[(2-morpholin-4-ylphenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide

C25H32N4O3 — CID 17398989

IUPAC4-N-methyl-4-N-[(2-morpholin-4-ylphenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide
SMILESCN(Cc1ccccc1N1CCOCC1)C(=O)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C25H32N4O3/c1-27(19-21-7-5-6-10-23(21)28-15-17-32-18-16-28)24(30)20-11-13-29(14-12-20)25(31)26-22-8-3-2-4-9-22/h2-10,20H,11-19H2,1H3,(H,26,31)
InChIKeyVFMOVHWCTRSEDP-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.43
Rot. Bonds5

About 4-N-methyl-4-N-[(2-morpholin-4-ylphenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide

4-N-methyl-4-N-[(2-morpholin-4-ylphenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide (PubChem CID 17398989) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is 4-N-methyl-4-N-[(2-morpholin-4-ylphenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-methyl-4-N-[(2-morpholin-4-ylphenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide
PubChem CID17398989
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Name4-N-methyl-4-N-[(2-morpholin-4-ylphenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide
SMILESCN(Cc1ccccc1N1CCOCC1)C(=O)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C25H32N4O3/c1-27(19-21-7-5-6-10-23(21)28-15-17-32-18-16-28)24(30)20-11-13-29(14-12-20)25(31)26-22-8-3-2-4-9-22/h2-10,20H,11-19H2,1H3,(H,26,31)
InChIKeyVFMOVHWCTRSEDP-UHFFFAOYSA-N
XLogP3.43
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-methyl-1-N-phenyl-4-N-[(2-pyrrolidin-1-ylphenyl)methyl]piperidine-1,4-dicarboxamide
CID 9361588
3-N-methyl-1-N-phenyl-3-N-[(2-pyrrolidin-1-ylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 17447922
4-N-methyl-1-N-phenyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-1,4-dicarboxamide
CID 134047330
(2S)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-N-phenylpropanamide
CID 26381814
3-cyclopentyl-1-methyl-1-[(2-morpholin-4-ylphenyl)methyl]urea
CID 38165863
(3R)-1-(4-chlorobenzoyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 41154900
(2R)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51925066
N-methyl-2-(methylamino)-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 120703394
4-N-[2-(4-methoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide
CID 9438322
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]morpholine-2-carboxamide;dihydrochloride
CID 119836475
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-(piperidin-1-ylmethyl)benzamide
CID 46977871
(2R,3S)-N,2-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]morpholine-3-carboxamide;dihydrochloride
CID 120938281

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-[(2-morpholin-4-ylphenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-methyl-4-N-[(2-morpholin-4-ylphenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide (CID 17398989) is 4-N-methyl-4-N-[(2-morpholin-4-ylphenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-methyl-4-N-[(2-morpholin-4-ylphenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-methyl-4-N-[(2-morpholin-4-ylphenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide is CN(Cc1ccccc1N1CCOCC1)C(=O)C1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-N-methyl-4-N-[(2-morpholin-4-ylphenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide?
The InChIKey is VFMOVHWCTRSEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-27(19-21-7-5-6-10-23(21)28-15-17-32-18-16-28)24(30)20-11-13-29(14-12-20)25(31)26-22-8-3-2-4-9-22/h2-10,20H,11-19H2,1H3,(H,26,31).
What are the key properties of 4-N-methyl-4-N-[(2-morpholin-4-ylphenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide?
4-N-methyl-4-N-[(2-morpholin-4-ylphenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide has a molecular weight of 436.56 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-[(2-morpholin-4-ylphenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 17398989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).