4-[[[(1,3-dimethylpiperidin-4-yl)-methylcarbamoyl]amino]methyl]-N,N-diethylbenzamide

C21H34N4O2 — CID 136513710

IUPAC4-[[[(1,3-dimethylpiperidin-4-yl)-methylcarbamoyl]amino]methyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(CNC(=O)N(C)C2CCN(C)CC2C)cc1
InChIInChI=1S/C21H34N4O2/c1-6-25(7-2)20(26)18-10-8-17(9-11-18)14-22-21(27)24(5)19-12-13-23(4)15-16(19)3/h8-11,16,19H,6-7,12-15H2,1-5H3,(H,22,27)
InChIKeyHTXMUACKXQCELH-UHFFFAOYSA-N
MW374.53 g/mol
LogP2.65
Rot. Bonds6

About 4-[[[(1,3-dimethylpiperidin-4-yl)-methylcarbamoyl]amino]methyl]-N,N-diethylbenzamide

4-[[[(1,3-dimethylpiperidin-4-yl)-methylcarbamoyl]amino]methyl]-N,N-diethylbenzamide (PubChem CID 136513710) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is 4-[[[(1,3-dimethylpiperidin-4-yl)-methylcarbamoyl]amino]methyl]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[[[(1,3-dimethylpiperidin-4-yl)-methylcarbamoyl]amino]methyl]-N,N-diethylbenzamide
PubChem CID136513710
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Name4-[[[(1,3-dimethylpiperidin-4-yl)-methylcarbamoyl]amino]methyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(CNC(=O)N(C)C2CCN(C)CC2C)cc1
InChIInChI=1S/C21H34N4O2/c1-6-25(7-2)20(26)18-10-8-17(9-11-18)14-22-21(27)24(5)19-12-13-23(4)15-16(19)3/h8-11,16,19H,6-7,12-15H2,1-5H3,(H,22,27)
InChIKeyHTXMUACKXQCELH-UHFFFAOYSA-N
XLogP2.65
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[[(1,3-dimethylpiperidin-4-yl)-methylcarbamoyl]amino]methyl]-N,N-diethylbenzamide?
The IUPAC name of 4-[[[(1,3-dimethylpiperidin-4-yl)-methylcarbamoyl]amino]methyl]-N,N-diethylbenzamide (CID 136513710) is 4-[[[(1,3-dimethylpiperidin-4-yl)-methylcarbamoyl]amino]methyl]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[[[(1,3-dimethylpiperidin-4-yl)-methylcarbamoyl]amino]methyl]-N,N-diethylbenzamide?
The canonical SMILES for 4-[[[(1,3-dimethylpiperidin-4-yl)-methylcarbamoyl]amino]methyl]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(CNC(=O)N(C)C2CCN(C)CC2C)cc1.
What is the InChIKey of 4-[[[(1,3-dimethylpiperidin-4-yl)-methylcarbamoyl]amino]methyl]-N,N-diethylbenzamide?
The InChIKey is HTXMUACKXQCELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-6-25(7-2)20(26)18-10-8-17(9-11-18)14-22-21(27)24(5)19-12-13-23(4)15-16(19)3/h8-11,16,19H,6-7,12-15H2,1-5H3,(H,22,27).
What are the key properties of 4-[[[(1,3-dimethylpiperidin-4-yl)-methylcarbamoyl]amino]methyl]-N,N-diethylbenzamide?
4-[[[(1,3-dimethylpiperidin-4-yl)-methylcarbamoyl]amino]methyl]-N,N-diethylbenzamide has a molecular weight of 374.53 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(1,3-dimethylpiperidin-4-yl)-methylcarbamoyl]amino]methyl]-N,N-diethylbenzamide is sourced from PubChem (CID 136513710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).