1-N,1-N-dimethyl-4-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1,4-dicarboxamide

C20H30N4O2 — CID 55701826

IUPAC1-N,1-N-dimethyl-4-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)NCC2CCN(c3ccccc3)C2)CC1
InChIInChI=1S/C20H30N4O2/c1-22(2)20(26)23-12-9-17(10-13-23)19(25)21-14-16-8-11-24(15-16)18-6-4-3-5-7-18/h3-7,16-17H,8-15H2,1-2H3,(H,21,25)
InChIKeyZQCHCMGRRGSLSU-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.02
Rot. Bonds4

About 1-N,1-N-dimethyl-4-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1,4-dicarboxamide

1-N,1-N-dimethyl-4-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1,4-dicarboxamide (PubChem CID 55701826) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-4-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N-dimethyl-4-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1,4-dicarboxamide
PubChem CID55701826
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name1-N,1-N-dimethyl-4-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)NCC2CCN(c3ccccc3)C2)CC1
InChIInChI=1S/C20H30N4O2/c1-22(2)20(26)23-12-9-17(10-13-23)19(25)21-14-16-8-11-24(15-16)18-6-4-3-5-7-18/h3-7,16-17H,8-15H2,1-2H3,(H,21,25)
InChIKeyZQCHCMGRRGSLSU-UHFFFAOYSA-N
XLogP2.02
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 98672750
N-[(1-phenylpyrrolidin-3-yl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 46403152
N-[(1-phenylpyrrolidin-3-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119854923
1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 20827758
1-(2-phenylacetyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide
CID 55652415
1-(2-methylpropyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-2-carboxamide
CID 51125431
(2S)-1-(2-methylpropyl)-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]piperidine-2-carboxamide
CID 124824586
N-[[1-(dimethylcarbamoyl)piperidin-4-yl]methyl]-N'-phenyloxamide
CID 121020500
4-methoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide
CID 122559036
2-chloro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957578
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]cyclopentanecarboxamide
CID 110414259
ethyl N-[(1-phenylpyrrolidin-3-yl)methyl]carbamate
CID 110640322

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-4-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N,1-N-dimethyl-4-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1,4-dicarboxamide (CID 55701826) is 1-N,1-N-dimethyl-4-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N,1-N-dimethyl-4-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N,1-N-dimethyl-4-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1,4-dicarboxamide is CN(C)C(=O)N1CCC(C(=O)NCC2CCN(c3ccccc3)C2)CC1.
What is the InChIKey of 1-N,1-N-dimethyl-4-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1,4-dicarboxamide?
The InChIKey is ZQCHCMGRRGSLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-22(2)20(26)23-12-9-17(10-13-23)19(25)21-14-16-8-11-24(15-16)18-6-4-3-5-7-18/h3-7,16-17H,8-15H2,1-2H3,(H,21,25).
What are the key properties of 1-N,1-N-dimethyl-4-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1,4-dicarboxamide?
1-N,1-N-dimethyl-4-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1,4-dicarboxamide has a molecular weight of 358.49 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-4-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 55701826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).