4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]-N-(2-piperidin-1-ylethyl)benzamide

C24H32N4O2 — CID 70583070

IUPAC4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]-N-(2-piperidin-1-ylethyl)benzamide
SMILESCN(Cc1cccc(-c2ccc(C(=O)NCCN3CCCCC3)cc2)c1)C(=O)CN
InChIInChI=1S/C24H32N4O2/c1-27(23(29)17-25)18-19-6-5-7-22(16-19)20-8-10-21(11-9-20)24(30)26-12-15-28-13-3-2-4-14-28/h5-11,16H,2-4,12-15,17-18,25H2,1H3,(H,26,30)
InChIKeyUFVHZTXLMCLZOZ-UHFFFAOYSA-N
MW408.55 g/mol
LogP2.49
Rot. Bonds8

About 4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]-N-(2-piperidin-1-ylethyl)benzamide

4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]-N-(2-piperidin-1-ylethyl)benzamide (PubChem CID 70583070) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]-N-(2-piperidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]-N-(2-piperidin-1-ylethyl)benzamide
PubChem CID70583070
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]-N-(2-piperidin-1-ylethyl)benzamide
SMILESCN(Cc1cccc(-c2ccc(C(=O)NCCN3CCCCC3)cc2)c1)C(=O)CN
InChIInChI=1S/C24H32N4O2/c1-27(23(29)17-25)18-19-6-5-7-22(16-19)20-8-10-21(11-9-20)24(30)26-12-15-28-13-3-2-4-14-28/h5-11,16H,2-4,12-15,17-18,25H2,1H3,(H,26,30)
InChIKeyUFVHZTXLMCLZOZ-UHFFFAOYSA-N
XLogP2.49
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[[3-(4-benzoylphenyl)phenyl]methyl]-N-methylacetamide
CID 70572253
2-amino-N-[[3-(4-fluorophenyl)phenyl]methyl]-N-methylacetamide
CID 70572290
2-amino-N-methyl-N-[[3-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]pyrimidin-5-yl]phenyl]methyl]acetamide
CID 70571684
2-amino-N-[[3-[4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]-N-methylacetamide
CID 70572134
2-amino-N-[[3-[4-(dimethylamino)phenyl]phenyl]methyl]-N-methylacetamide;oxalic acid
CID 134137520
2-amino-N-methyl-N-[[3-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]phenyl]methyl]acetamide
CID 70572382
2-amino-N-[[3-[4-(diethylaminomethyl)phenyl]phenyl]methyl]-N-methylacetamide;dihydrochloride
CID 134138777
3-(3-formyl-4-hydroxyphenyl)-N-(2-piperidin-1-ylethyl)benzamide;hydrochloride
CID 170991948
4-(aminomethyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]benzamide
CID 119901794
4-N-benzyl-4-N-methyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045869
2-amino-N-methyl-N-[[3-[4-(6-phenylhexanoyl)phenyl]phenyl]methyl]acetamide
CID 161031506
3,4-dimethyl-N-(2-piperidin-1-ylethyl)benzamide
CID 25237097

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]-N-(2-piperidin-1-ylethyl)benzamide?
The IUPAC name of 4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]-N-(2-piperidin-1-ylethyl)benzamide (CID 70583070) is 4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]-N-(2-piperidin-1-ylethyl)benzamide.
What is the SMILES notation for 4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]-N-(2-piperidin-1-ylethyl)benzamide?
The canonical SMILES for 4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]-N-(2-piperidin-1-ylethyl)benzamide is CN(Cc1cccc(-c2ccc(C(=O)NCCN3CCCCC3)cc2)c1)C(=O)CN.
What is the InChIKey of 4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]-N-(2-piperidin-1-ylethyl)benzamide?
The InChIKey is UFVHZTXLMCLZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-27(23(29)17-25)18-19-6-5-7-22(16-19)20-8-10-21(11-9-20)24(30)26-12-15-28-13-3-2-4-14-28/h5-11,16H,2-4,12-15,17-18,25H2,1H3,(H,26,30).
What are the key properties of 4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]-N-(2-piperidin-1-ylethyl)benzamide?
4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]-N-(2-piperidin-1-ylethyl)benzamide has a molecular weight of 408.55 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]-N-(2-piperidin-1-ylethyl)benzamide is sourced from PubChem (CID 70583070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).