1-N-methyl-3-N-(2-piperidin-3-ylethyl)benzene-1,3-dicarboxamide

C16H23N3O2 — CID 119559534

IUPAC1-N-methyl-3-N-(2-piperidin-3-ylethyl)benzene-1,3-dicarboxamide
SMILESCNC(=O)c1cccc(C(=O)NCCC2CCCNC2)c1
InChIInChI=1S/C16H23N3O2/c1-17-15(20)13-5-2-6-14(10-13)16(21)19-9-7-12-4-3-8-18-11-12/h2,5-6,10,12,18H,3-4,7-9,11H2,1H3,(H,17,20)(H,19,21)
InChIKeySWWCHWYOVDCTAJ-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.17
Rot. Bonds5

About 1-N-methyl-3-N-(2-piperidin-3-ylethyl)benzene-1,3-dicarboxamide

1-N-methyl-3-N-(2-piperidin-3-ylethyl)benzene-1,3-dicarboxamide (PubChem CID 119559534) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-N-methyl-3-N-(2-piperidin-3-ylethyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-methyl-3-N-(2-piperidin-3-ylethyl)benzene-1,3-dicarboxamide
PubChem CID119559534
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-N-methyl-3-N-(2-piperidin-3-ylethyl)benzene-1,3-dicarboxamide
SMILESCNC(=O)c1cccc(C(=O)NCCC2CCCNC2)c1
InChIInChI=1S/C16H23N3O2/c1-17-15(20)13-5-2-6-14(10-13)16(21)19-9-7-12-4-3-8-18-11-12/h2,5-6,10,12,18H,3-4,7-9,11H2,1H3,(H,17,20)(H,19,21)
InChIKeySWWCHWYOVDCTAJ-UHFFFAOYSA-N
XLogP1.17
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(2-piperidin-3-ylethyl)benzamide
CID 63628186
3-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555518
3-nitro-N-(2-piperidin-3-ylethyl)benzamide
CID 63628022
3-(dimethylcarbamoylamino)-N-(2-piperidin-3-ylethyl)benzamide
CID 119558110
3-(difluoromethoxy)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555759
3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536491
2-oxo-N-(2-piperidin-3-ylethyl)-1H-pyridine-4-carboxamide
CID 103806761
N-(2-piperidin-3-ylethyl)-3-(sulfamoylmethyl)benzamide;hydrochloride
CID 119555848
3-fluoro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556963
3-(cyclopropylmethylsulfamoyl)-N-(2-piperidin-3-ylethyl)benzamide
CID 119558611
3,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119557335
3-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628909

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-3-N-(2-piperidin-3-ylethyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-methyl-3-N-(2-piperidin-3-ylethyl)benzene-1,3-dicarboxamide (CID 119559534) is 1-N-methyl-3-N-(2-piperidin-3-ylethyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-methyl-3-N-(2-piperidin-3-ylethyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-methyl-3-N-(2-piperidin-3-ylethyl)benzene-1,3-dicarboxamide is CNC(=O)c1cccc(C(=O)NCCC2CCCNC2)c1.
What is the InChIKey of 1-N-methyl-3-N-(2-piperidin-3-ylethyl)benzene-1,3-dicarboxamide?
The InChIKey is SWWCHWYOVDCTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-17-15(20)13-5-2-6-14(10-13)16(21)19-9-7-12-4-3-8-18-11-12/h2,5-6,10,12,18H,3-4,7-9,11H2,1H3,(H,17,20)(H,19,21).
What are the key properties of 1-N-methyl-3-N-(2-piperidin-3-ylethyl)benzene-1,3-dicarboxamide?
1-N-methyl-3-N-(2-piperidin-3-ylethyl)benzene-1,3-dicarboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-3-N-(2-piperidin-3-ylethyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 119559534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).