3-(dimethylcarbamoylamino)-N-(2-piperidin-3-ylethyl)benzamide

C17H26N4O2 — CID 119558110

IUPAC3-(dimethylcarbamoylamino)-N-(2-piperidin-3-ylethyl)benzamide
SMILESCN(C)C(=O)Nc1cccc(C(=O)NCCC2CCCNC2)c1
InChIInChI=1S/C17H26N4O2/c1-21(2)17(23)20-15-7-3-6-14(11-15)16(22)19-10-8-13-5-4-9-18-12-13/h3,6-7,11,13,18H,4-5,8-10,12H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyVNTQPPITDWXJGY-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.90
Rot. Bonds5

About 3-(dimethylcarbamoylamino)-N-(2-piperidin-3-ylethyl)benzamide

3-(dimethylcarbamoylamino)-N-(2-piperidin-3-ylethyl)benzamide (PubChem CID 119558110) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-(dimethylcarbamoylamino)-N-(2-piperidin-3-ylethyl)benzamide.

Molecular Properties

Compound Name3-(dimethylcarbamoylamino)-N-(2-piperidin-3-ylethyl)benzamide
PubChem CID119558110
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name3-(dimethylcarbamoylamino)-N-(2-piperidin-3-ylethyl)benzamide
SMILESCN(C)C(=O)Nc1cccc(C(=O)NCCC2CCCNC2)c1
InChIInChI=1S/C17H26N4O2/c1-21(2)17(23)20-15-7-3-6-14(11-15)16(22)19-10-8-13-5-4-9-18-12-13/h3,6-7,11,13,18H,4-5,8-10,12H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyVNTQPPITDWXJGY-UHFFFAOYSA-N
XLogP1.90
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-methyl-3-N-(2-piperidin-3-ylethyl)benzene-1,3-dicarboxamide
CID 119559534
3-chloro-N-(2-piperidin-3-ylethyl)benzamide
CID 63628186
3-(carbamoylamino)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534577
N-[3-(2-piperidin-3-ylethylcarbamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 119556997
3-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555518
N-[3-(2-piperidin-3-ylethylcarbamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 119556996
3-[(2-methylcyclopropanecarbonyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119536660
3-nitro-N-(2-piperidin-3-ylethyl)benzamide
CID 63628022
3-(3-imidazol-1-ylpropanoylamino)-N-(2-piperidin-3-ylethyl)benzamide;dihydrochloride
CID 119555811
3-(cyclopropylmethylsulfamoyl)-N-(2-piperidin-3-ylethyl)benzamide
CID 119558611
3-(difluoromethoxy)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555759
3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536491

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylcarbamoylamino)-N-(2-piperidin-3-ylethyl)benzamide?
The IUPAC name of 3-(dimethylcarbamoylamino)-N-(2-piperidin-3-ylethyl)benzamide (CID 119558110) is 3-(dimethylcarbamoylamino)-N-(2-piperidin-3-ylethyl)benzamide.
What is the SMILES notation for 3-(dimethylcarbamoylamino)-N-(2-piperidin-3-ylethyl)benzamide?
The canonical SMILES for 3-(dimethylcarbamoylamino)-N-(2-piperidin-3-ylethyl)benzamide is CN(C)C(=O)Nc1cccc(C(=O)NCCC2CCCNC2)c1.
What is the InChIKey of 3-(dimethylcarbamoylamino)-N-(2-piperidin-3-ylethyl)benzamide?
The InChIKey is VNTQPPITDWXJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-21(2)17(23)20-15-7-3-6-14(11-15)16(22)19-10-8-13-5-4-9-18-12-13/h3,6-7,11,13,18H,4-5,8-10,12H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 3-(dimethylcarbamoylamino)-N-(2-piperidin-3-ylethyl)benzamide?
3-(dimethylcarbamoylamino)-N-(2-piperidin-3-ylethyl)benzamide has a molecular weight of 318.42 g/mol, XLogP of 1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylcarbamoylamino)-N-(2-piperidin-3-ylethyl)benzamide is sourced from PubChem (CID 119558110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).