4-(1-methylpiperidin-4-yl)-1-N-(2-phenylethyl)pyrrolidine-1,3-dicarboxamide

C20H30N4O2 — CID 156611174

IUPAC4-(1-methylpiperidin-4-yl)-1-N-(2-phenylethyl)pyrrolidine-1,3-dicarboxamide
SMILESCN1CCC(C2CN(C(=O)NCCc3ccccc3)CC2C(N)=O)CC1
InChIInChI=1S/C20H30N4O2/c1-23-11-8-16(9-12-23)17-13-24(14-18(17)19(21)25)20(26)22-10-7-15-5-3-2-4-6-15/h2-6,16-18H,7-14H2,1H3,(H2,21,25)(H,22,26)
InChIKeyGBXYZARSHLSJDM-UHFFFAOYSA-N
MW358.49 g/mol
LogP1.31
Rot. Bonds5

About 4-(1-methylpiperidin-4-yl)-1-N-(2-phenylethyl)pyrrolidine-1,3-dicarboxamide

4-(1-methylpiperidin-4-yl)-1-N-(2-phenylethyl)pyrrolidine-1,3-dicarboxamide (PubChem CID 156611174) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 4-(1-methylpiperidin-4-yl)-1-N-(2-phenylethyl)pyrrolidine-1,3-dicarboxamide.

Molecular Properties

Compound Name4-(1-methylpiperidin-4-yl)-1-N-(2-phenylethyl)pyrrolidine-1,3-dicarboxamide
PubChem CID156611174
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name4-(1-methylpiperidin-4-yl)-1-N-(2-phenylethyl)pyrrolidine-1,3-dicarboxamide
SMILESCN1CCC(C2CN(C(=O)NCCc3ccccc3)CC2C(N)=O)CC1
InChIInChI=1S/C20H30N4O2/c1-23-11-8-16(9-12-23)17-13-24(14-18(17)19(21)25)20(26)22-10-7-15-5-3-2-4-6-15/h2-6,16-18H,7-14H2,1H3,(H2,21,25)(H,22,26)
InChIKeyGBXYZARSHLSJDM-UHFFFAOYSA-N
XLogP1.31
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-(2-phenylethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63721294
5-methyl-1-(2-phenylethylcarbamoyl)piperidine-3-carboxylic acid
CID 122121841
2-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)acetamide
CID 50875448
1-(1-methylpiperidin-4-yl)-3-(2-phenylethyl)urea
CID 11499904
2-[1-(2-phenylethylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682805
(3S,4R)-3-(dimethylamino)-N-(2-phenylethyl)-4-propan-2-ylpyrrolidine-1-carboxamide
CID 72857475
N'-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)oxamide
CID 16886539
N'-methyl-N'-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)oxamide
CID 108505781
2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxo-N-(2-phenylethyl)propanamide
CID 108960695
4-(cyclopentanecarbonyl)-N-(2-phenylethyl)piperazine-1-carboxamide
CID 23819080
(3R)-1-N-[2-[benzyl(methyl)amino]ethyl]pyrrolidine-1,3-dicarboxamide
CID 94577627
3-(4-methylpiperazin-1-yl)-3-oxo-N-(2-phenylethyl)propanamide
CID 108944340

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpiperidin-4-yl)-1-N-(2-phenylethyl)pyrrolidine-1,3-dicarboxamide?
The IUPAC name of 4-(1-methylpiperidin-4-yl)-1-N-(2-phenylethyl)pyrrolidine-1,3-dicarboxamide (CID 156611174) is 4-(1-methylpiperidin-4-yl)-1-N-(2-phenylethyl)pyrrolidine-1,3-dicarboxamide.
What is the SMILES notation for 4-(1-methylpiperidin-4-yl)-1-N-(2-phenylethyl)pyrrolidine-1,3-dicarboxamide?
The canonical SMILES for 4-(1-methylpiperidin-4-yl)-1-N-(2-phenylethyl)pyrrolidine-1,3-dicarboxamide is CN1CCC(C2CN(C(=O)NCCc3ccccc3)CC2C(N)=O)CC1.
What is the InChIKey of 4-(1-methylpiperidin-4-yl)-1-N-(2-phenylethyl)pyrrolidine-1,3-dicarboxamide?
The InChIKey is GBXYZARSHLSJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-23-11-8-16(9-12-23)17-13-24(14-18(17)19(21)25)20(26)22-10-7-15-5-3-2-4-6-15/h2-6,16-18H,7-14H2,1H3,(H2,21,25)(H,22,26).
What are the key properties of 4-(1-methylpiperidin-4-yl)-1-N-(2-phenylethyl)pyrrolidine-1,3-dicarboxamide?
4-(1-methylpiperidin-4-yl)-1-N-(2-phenylethyl)pyrrolidine-1,3-dicarboxamide has a molecular weight of 358.49 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpiperidin-4-yl)-1-N-(2-phenylethyl)pyrrolidine-1,3-dicarboxamide is sourced from PubChem (CID 156611174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).