N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-3,5-dimethylbenzamide

C17H27N3O — CID 130216559

IUPACN-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCC2CCN(CCN)CC2)c1
InChIInChI=1S/C17H27N3O/c1-13-9-14(2)11-16(10-13)17(21)19-12-15-3-6-20(7-4-15)8-5-18/h9-11,15H,3-8,12,18H2,1-2H3,(H,19,21)
InChIKeyBIHALPJSTXXPNT-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.70
Rot. Bonds5

About N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-3,5-dimethylbenzamide

N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-3,5-dimethylbenzamide (PubChem CID 130216559) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-3,5-dimethylbenzamide
PubChem CID130216559
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCC2CCN(CCN)CC2)c1
InChIInChI=1S/C17H27N3O/c1-13-9-14(2)11-16(10-13)17(21)19-12-15-3-6-20(7-4-15)8-5-18/h9-11,15H,3-8,12,18H2,1-2H3,(H,19,21)
InChIKeyBIHALPJSTXXPNT-UHFFFAOYSA-N
XLogP1.70
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 104852574
N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]acetamide
CID 66567390
4-amino-3,5-difluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 63185576
3,4,5-trimethoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
CID 16895501
3,5-dihydroxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 104938964
4-amino-3,5-difluoro-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63184925
3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 142245309
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-methyl-4-nitrobenzamide
CID 16895526
3-amino-5-methoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 81089783
4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
CID 16895498
N-[3-(3-hydroxypyrrolidin-1-yl)propyl]-3,5-dimethylbenzamide
CID 142245443
4-bromo-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
CID 16895556

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-3,5-dimethylbenzamide (CID 130216559) is N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)NCC2CCN(CCN)CC2)c1.
What is the InChIKey of N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-3,5-dimethylbenzamide?
The InChIKey is BIHALPJSTXXPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13-9-14(2)11-16(10-13)17(21)19-12-15-3-6-20(7-4-15)8-5-18/h9-11,15H,3-8,12,18H2,1-2H3,(H,19,21).
What are the key properties of N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-3,5-dimethylbenzamide?
N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-3,5-dimethylbenzamide has a molecular weight of 289.42 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 130216559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).