2-[3-(2-aminoethyl)piperidin-1-yl]-4-(2-amino-2-oxoethyl)benzamide

C16H24N4O2 — CID 68854613

IUPAC2-[3-(2-aminoethyl)piperidin-1-yl]-4-(2-amino-2-oxoethyl)benzamide
SMILESNCCC1CCCN(c2cc(CC(N)=O)ccc2C(N)=O)C1
InChIInChI=1S/C16H24N4O2/c17-6-5-11-2-1-7-20(10-11)14-8-12(9-15(18)21)3-4-13(14)16(19)22/h3-4,8,11H,1-2,5-7,9-10,17H2,(H2,18,21)(H2,19,22)
InChIKeyHSTXWXCEGFKBOK-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.38
Rot. Bonds6

About 2-[3-(2-aminoethyl)piperidin-1-yl]-4-(2-amino-2-oxoethyl)benzamide

2-[3-(2-aminoethyl)piperidin-1-yl]-4-(2-amino-2-oxoethyl)benzamide (PubChem CID 68854613) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-[3-(2-aminoethyl)piperidin-1-yl]-4-(2-amino-2-oxoethyl)benzamide.

Molecular Properties

Compound Name2-[3-(2-aminoethyl)piperidin-1-yl]-4-(2-amino-2-oxoethyl)benzamide
PubChem CID68854613
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name2-[3-(2-aminoethyl)piperidin-1-yl]-4-(2-amino-2-oxoethyl)benzamide
SMILESNCCC1CCCN(c2cc(CC(N)=O)ccc2C(N)=O)C1
InChIInChI=1S/C16H24N4O2/c17-6-5-11-2-1-7-20(10-11)14-8-12(9-15(18)21)3-4-13(14)16(19)22/h3-4,8,11H,1-2,5-7,9-10,17H2,(H2,18,21)(H2,19,22)
InChIKeyHSTXWXCEGFKBOK-UHFFFAOYSA-N
XLogP0.38
TPSA115.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[3-(2-aminoethyl)piperidin-1-yl]-2,3-difluorobenzoate
CID 79835282
2-[3-(aminomethyl)piperidin-1-yl]-5-bromobenzamide
CID 114893915
1-[3-(2-aminoethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 63765937
4-bromo-2-[3-(2-hydroxyethyl)piperidin-1-yl]benzenecarbothioamide
CID 107227442
2-[1-(3-chlorophenyl)piperidin-3-yl]ethanamine
CID 83824657
2-[1-(4-chlorophenyl)piperidin-3-yl]ethanamine
CID 83824658
4-bromo-2-[3-(hydroxymethyl)piperidin-1-yl]benzenecarbothioamide
CID 114902817
4-chloro-2-pyrrolidin-1-ylbenzamide
CID 175755085
2-[1-(4-fluorophenyl)piperidin-3-yl]ethanamine
CID 83822888
4-[3-(2-aminoethyl)piperidin-1-yl]-1-methylquinolin-2-one
CID 81244041
2-[2-(aminomethyl)pyrrolidin-1-yl]-4-chlorobenzamide
CID 113284607
2-[1-(3,5-difluoro-2-nitrophenyl)piperidin-3-yl]ethanamine
CID 115509749

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethyl)piperidin-1-yl]-4-(2-amino-2-oxoethyl)benzamide?
The IUPAC name of 2-[3-(2-aminoethyl)piperidin-1-yl]-4-(2-amino-2-oxoethyl)benzamide (CID 68854613) is 2-[3-(2-aminoethyl)piperidin-1-yl]-4-(2-amino-2-oxoethyl)benzamide.
What is the SMILES notation for 2-[3-(2-aminoethyl)piperidin-1-yl]-4-(2-amino-2-oxoethyl)benzamide?
The canonical SMILES for 2-[3-(2-aminoethyl)piperidin-1-yl]-4-(2-amino-2-oxoethyl)benzamide is NCCC1CCCN(c2cc(CC(N)=O)ccc2C(N)=O)C1.
What is the InChIKey of 2-[3-(2-aminoethyl)piperidin-1-yl]-4-(2-amino-2-oxoethyl)benzamide?
The InChIKey is HSTXWXCEGFKBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c17-6-5-11-2-1-7-20(10-11)14-8-12(9-15(18)21)3-4-13(14)16(19)22/h3-4,8,11H,1-2,5-7,9-10,17H2,(H2,18,21)(H2,19,22).
What are the key properties of 2-[3-(2-aminoethyl)piperidin-1-yl]-4-(2-amino-2-oxoethyl)benzamide?
2-[3-(2-aminoethyl)piperidin-1-yl]-4-(2-amino-2-oxoethyl)benzamide has a molecular weight of 304.39 g/mol, XLogP of 0.38, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethyl)piperidin-1-yl]-4-(2-amino-2-oxoethyl)benzamide is sourced from PubChem (CID 68854613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).