3-N-methyl-1-N-phenyl-3-N-[(2-pyrrolidin-1-ylphenyl)methyl]piperidine-1,3-dicarboxamide

C25H32N4O2 — CID 17447922

IUPAC3-N-methyl-1-N-phenyl-3-N-[(2-pyrrolidin-1-ylphenyl)methyl]piperidine-1,3-dicarboxamide
SMILESCN(Cc1ccccc1N1CCCC1)C(=O)C1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C25H32N4O2/c1-27(18-20-10-5-6-14-23(20)28-15-7-8-16-28)24(30)21-11-9-17-29(19-21)25(31)26-22-12-3-2-4-13-22/h2-6,10,12-14,21H,7-9,11,15-19H2,1H3,(H,26,31)
InChIKeyWRSYKYPOLULZOY-UHFFFAOYSA-N
MW420.56 g/mol
LogP4.19
Rot. Bonds5

About 3-N-methyl-1-N-phenyl-3-N-[(2-pyrrolidin-1-ylphenyl)methyl]piperidine-1,3-dicarboxamide

3-N-methyl-1-N-phenyl-3-N-[(2-pyrrolidin-1-ylphenyl)methyl]piperidine-1,3-dicarboxamide (PubChem CID 17447922) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 3-N-methyl-1-N-phenyl-3-N-[(2-pyrrolidin-1-ylphenyl)methyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-methyl-1-N-phenyl-3-N-[(2-pyrrolidin-1-ylphenyl)methyl]piperidine-1,3-dicarboxamide
PubChem CID17447922
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name3-N-methyl-1-N-phenyl-3-N-[(2-pyrrolidin-1-ylphenyl)methyl]piperidine-1,3-dicarboxamide
SMILESCN(Cc1ccccc1N1CCCC1)C(=O)C1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C25H32N4O2/c1-27(18-20-10-5-6-14-23(20)28-15-7-8-16-28)24(30)21-11-9-17-29(19-21)25(31)26-22-12-3-2-4-13-22/h2-6,10,12-14,21H,7-9,11,15-19H2,1H3,(H,26,31)
InChIKeyWRSYKYPOLULZOY-UHFFFAOYSA-N
XLogP4.19
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
4-N-methyl-4-N-[(2-morpholin-4-ylphenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 17398989
(3R)-3-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9084986
3-N-methyl-3-N-[2-(2-methylpropanoylamino)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 75396728
3-N-[(2,4-dimethoxyphenyl)methyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55413626
(3R)-3-N-methyl-3-N-(naphthalen-2-ylmethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 94406394
3-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55621859
3-N-[2-(diethylamino)-2-oxoethyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 51328766
(3R)-3-N-methyl-1-N-phenyl-3-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide
CID 8962325
(3R)-3-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9069548
3-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 134044641
(3R)-3-N-methyl-3-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 136701479

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-1-N-phenyl-3-N-[(2-pyrrolidin-1-ylphenyl)methyl]piperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-methyl-1-N-phenyl-3-N-[(2-pyrrolidin-1-ylphenyl)methyl]piperidine-1,3-dicarboxamide (CID 17447922) is 3-N-methyl-1-N-phenyl-3-N-[(2-pyrrolidin-1-ylphenyl)methyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-methyl-1-N-phenyl-3-N-[(2-pyrrolidin-1-ylphenyl)methyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-methyl-1-N-phenyl-3-N-[(2-pyrrolidin-1-ylphenyl)methyl]piperidine-1,3-dicarboxamide is CN(Cc1ccccc1N1CCCC1)C(=O)C1CCCN(C(=O)Nc2ccccc2)C1.
What is the InChIKey of 3-N-methyl-1-N-phenyl-3-N-[(2-pyrrolidin-1-ylphenyl)methyl]piperidine-1,3-dicarboxamide?
The InChIKey is WRSYKYPOLULZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-27(18-20-10-5-6-14-23(20)28-15-7-8-16-28)24(30)21-11-9-17-29(19-21)25(31)26-22-12-3-2-4-13-22/h2-6,10,12-14,21H,7-9,11,15-19H2,1H3,(H,26,31).
What are the key properties of 3-N-methyl-1-N-phenyl-3-N-[(2-pyrrolidin-1-ylphenyl)methyl]piperidine-1,3-dicarboxamide?
3-N-methyl-1-N-phenyl-3-N-[(2-pyrrolidin-1-ylphenyl)methyl]piperidine-1,3-dicarboxamide has a molecular weight of 420.56 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-1-N-phenyl-3-N-[(2-pyrrolidin-1-ylphenyl)methyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 17447922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).