3-[(2,2-dimethylpropanoylamino)methyl]-N-(2-piperazin-1-ylethyl)benzamide

C19H30N4O2 — CID 138647753

IUPAC3-[(2,2-dimethylpropanoylamino)methyl]-N-(2-piperazin-1-ylethyl)benzamide
SMILESCC(C)(C)C(=O)NCc1cccc(C(=O)NCCN2CCNCC2)c1
InChIInChI=1S/C19H30N4O2/c1-19(2,3)18(25)22-14-15-5-4-6-16(13-15)17(24)21-9-12-23-10-7-20-8-11-23/h4-6,13,20H,7-12,14H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyPFTQGMQTSUALCL-UHFFFAOYSA-N
MW346.48 g/mol
LogP0.98
Rot. Bonds6

About 3-[(2,2-dimethylpropanoylamino)methyl]-N-(2-piperazin-1-ylethyl)benzamide

3-[(2,2-dimethylpropanoylamino)methyl]-N-(2-piperazin-1-ylethyl)benzamide (PubChem CID 138647753) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 3-[(2,2-dimethylpropanoylamino)methyl]-N-(2-piperazin-1-ylethyl)benzamide.

Molecular Properties

Compound Name3-[(2,2-dimethylpropanoylamino)methyl]-N-(2-piperazin-1-ylethyl)benzamide
PubChem CID138647753
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name3-[(2,2-dimethylpropanoylamino)methyl]-N-(2-piperazin-1-ylethyl)benzamide
SMILESCC(C)(C)C(=O)NCc1cccc(C(=O)NCCN2CCNCC2)c1
InChIInChI=1S/C19H30N4O2/c1-19(2,3)18(25)22-14-15-5-4-6-16(13-15)17(24)21-9-12-23-10-7-20-8-11-23/h4-6,13,20H,7-12,14H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyPFTQGMQTSUALCL-UHFFFAOYSA-N
XLogP0.98
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-N-(2-piperazin-1-ylethyl)benzamide
CID 43600333
3-ethoxy-N-(2-piperazin-1-ylethyl)benzamide
CID 119447922
N-(2-piperazin-1-ylethyl)-3-propoxybenzamide
CID 62050340
2-(2,2-dimethylpropanoylamino)-N-(2-piperazin-1-ylethyl)benzamide
CID 119448601
3-N-methyl-3-N-phenyl-1-N-(2-piperazin-1-ylethyl)benzene-1,3-dicarboxamide
CID 119446970
3-(2-methoxyethoxy)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119444759
3-benzylsulfonyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119446967
N-(3-methylbutyl)-3-(piperazin-1-ylmethyl)benzamide
CID 82166284
4-(methylaminomethyl)-N-(2-piperazin-1-ylethyl)benzamide
CID 90338095
3-bromo-4-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 81471524
4-methyl-3-methylsulfonyl-N-(2-piperazin-1-ylethyl)benzamide
CID 119446273
N-(2-piperazin-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119448229

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethylpropanoylamino)methyl]-N-(2-piperazin-1-ylethyl)benzamide?
The IUPAC name of 3-[(2,2-dimethylpropanoylamino)methyl]-N-(2-piperazin-1-ylethyl)benzamide (CID 138647753) is 3-[(2,2-dimethylpropanoylamino)methyl]-N-(2-piperazin-1-ylethyl)benzamide.
What is the SMILES notation for 3-[(2,2-dimethylpropanoylamino)methyl]-N-(2-piperazin-1-ylethyl)benzamide?
The canonical SMILES for 3-[(2,2-dimethylpropanoylamino)methyl]-N-(2-piperazin-1-ylethyl)benzamide is CC(C)(C)C(=O)NCc1cccc(C(=O)NCCN2CCNCC2)c1.
What is the InChIKey of 3-[(2,2-dimethylpropanoylamino)methyl]-N-(2-piperazin-1-ylethyl)benzamide?
The InChIKey is PFTQGMQTSUALCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-19(2,3)18(25)22-14-15-5-4-6-16(13-15)17(24)21-9-12-23-10-7-20-8-11-23/h4-6,13,20H,7-12,14H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of 3-[(2,2-dimethylpropanoylamino)methyl]-N-(2-piperazin-1-ylethyl)benzamide?
3-[(2,2-dimethylpropanoylamino)methyl]-N-(2-piperazin-1-ylethyl)benzamide has a molecular weight of 346.48 g/mol, XLogP of 0.98, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethylpropanoylamino)methyl]-N-(2-piperazin-1-ylethyl)benzamide is sourced from PubChem (CID 138647753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).