3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-methylbenzamide

C15H22N4O2 — CID 61140963

IUPAC3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-methylbenzamide
SMILESCc1c(N)cccc1C(=O)NC1CCN(CC(N)=O)CC1
InChIInChI=1S/C15H22N4O2/c1-10-12(3-2-4-13(10)16)15(21)18-11-5-7-19(8-6-11)9-14(17)20/h2-4,11H,5-9,16H2,1H3,(H2,17,20)(H,18,21)
InChIKeyQKBLTTWGKSEWGF-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.26
Rot. Bonds4

About 3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-methylbenzamide

3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-methylbenzamide (PubChem CID 61140963) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-methylbenzamide
PubChem CID61140963
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-methylbenzamide
SMILESCc1c(N)cccc1C(=O)NC1CCN(CC(N)=O)CC1
InChIInChI=1S/C15H22N4O2/c1-10-12(3-2-4-13(10)16)15(21)18-11-5-7-19(8-6-11)9-14(17)20/h2-4,11H,5-9,16H2,1H3,(H2,17,20)(H,18,21)
InChIKeyQKBLTTWGKSEWGF-UHFFFAOYSA-N
XLogP0.26
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-fluoro-3-methylbenzamide
CID 80710716
3-amino-N-cyclobutyl-2-methylbenzamide
CID 62416681
3-amino-N-(1-tert-butylpiperidin-4-yl)-2-methylbenzamide
CID 61101990
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2,3-dimethylanilino)benzamide
CID 134047765
3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]benzamide
CID 43711659
2-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-chlorobenzamide
CID 61140773
2-amino-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide
CID 119946633
5-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-methylpyridine-3-carboxamide
CID 61139255
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 18157740
2-[4-[(2-aminophenyl)methylamino]piperidin-1-yl]acetamide
CID 66416889
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methyl-1H-pyrazole-4-carboxamide
CID 63999078
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2,3-difluorobenzamide
CID 63627169

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-methylbenzamide?
The IUPAC name of 3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-methylbenzamide (CID 61140963) is 3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-methylbenzamide.
What is the SMILES notation for 3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-methylbenzamide?
The canonical SMILES for 3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-methylbenzamide is Cc1c(N)cccc1C(=O)NC1CCN(CC(N)=O)CC1.
What is the InChIKey of 3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-methylbenzamide?
The InChIKey is QKBLTTWGKSEWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-10-12(3-2-4-13(10)16)15(21)18-11-5-7-19(8-6-11)9-14(17)20/h2-4,11H,5-9,16H2,1H3,(H2,17,20)(H,18,21).
What are the key properties of 3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-methylbenzamide?
3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-methylbenzamide has a molecular weight of 290.37 g/mol, XLogP of 0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-methylbenzamide is sourced from PubChem (CID 61140963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).