N-(2-amino-2-oxoethyl)-2,5-dimethyl-N-piperidin-3-ylbenzamide

C16H23N3O2 — CID 60800165

IUPACN-(2-amino-2-oxoethyl)-2,5-dimethyl-N-piperidin-3-ylbenzamide
SMILESCc1ccc(C)c(C(=O)N(CC(N)=O)C2CCCNC2)c1
InChIInChI=1S/C16H23N3O2/c1-11-5-6-12(2)14(8-11)16(21)19(10-15(17)20)13-4-3-7-18-9-13/h5-6,8,13,18H,3-4,7,9-10H2,1-2H3,(H2,17,20)
InChIKeyJQMMSPZFDSXNLE-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.98
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-2,5-dimethyl-N-piperidin-3-ylbenzamide

N-(2-amino-2-oxoethyl)-2,5-dimethyl-N-piperidin-3-ylbenzamide (PubChem CID 60800165) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2,5-dimethyl-N-piperidin-3-ylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2,5-dimethyl-N-piperidin-3-ylbenzamide
PubChem CID60800165
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-(2-amino-2-oxoethyl)-2,5-dimethyl-N-piperidin-3-ylbenzamide
SMILESCc1ccc(C)c(C(=O)N(CC(N)=O)C2CCCNC2)c1
InChIInChI=1S/C16H23N3O2/c1-11-5-6-12(2)14(8-11)16(21)19(10-15(17)20)13-4-3-7-18-9-13/h5-6,8,13,18H,3-4,7,9-10H2,1-2H3,(H2,17,20)
InChIKeyJQMMSPZFDSXNLE-UHFFFAOYSA-N
XLogP0.98
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-oxoethyl)-2-hydroxy-3-methyl-N-piperidin-3-ylbenzamide
CID 60799804
2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 60805843
N-(2-amino-2-oxoethyl)-2,5-difluoro-N-piperidin-3-ylbenzamide
CID 60801397
5-fluoro-2-methyl-N-piperidin-3-yl-N-propylbenzamide
CID 63050163
2-[acetyl(piperidin-3-yl)amino]acetamide
CID 60802262
2-chloro-4-methyl-N-piperidin-3-yl-N-propylbenzamide
CID 106862150
N-(2-amino-2-oxoethyl)-3-hydroxy-N-piperidin-3-ylpyridine-4-carboxamide
CID 81445654
N-[(4R)-azepan-4-yl]-2,5-dimethyl-N-(pyrimidin-5-ylmethyl)benzamide
CID 129465935
N-(2-amino-2-oxoethyl)-4-hydroxy-3-methyl-N-pyrrolidin-3-ylbenzamide
CID 107675675
2-bromo-5-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 81112056
N,2,4-trimethyl-N-piperidin-3-ylbenzamide
CID 60807214
N-(2-amino-2-oxoethyl)-1-methyl-N-piperidin-3-ylpyrazole-4-carboxamide
CID 60800702

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2,5-dimethyl-N-piperidin-3-ylbenzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2,5-dimethyl-N-piperidin-3-ylbenzamide (CID 60800165) is N-(2-amino-2-oxoethyl)-2,5-dimethyl-N-piperidin-3-ylbenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2,5-dimethyl-N-piperidin-3-ylbenzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2,5-dimethyl-N-piperidin-3-ylbenzamide is Cc1ccc(C)c(C(=O)N(CC(N)=O)C2CCCNC2)c1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2,5-dimethyl-N-piperidin-3-ylbenzamide?
The InChIKey is JQMMSPZFDSXNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11-5-6-12(2)14(8-11)16(21)19(10-15(17)20)13-4-3-7-18-9-13/h5-6,8,13,18H,3-4,7,9-10H2,1-2H3,(H2,17,20).
What are the key properties of N-(2-amino-2-oxoethyl)-2,5-dimethyl-N-piperidin-3-ylbenzamide?
N-(2-amino-2-oxoethyl)-2,5-dimethyl-N-piperidin-3-ylbenzamide has a molecular weight of 289.38 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2,5-dimethyl-N-piperidin-3-ylbenzamide is sourced from PubChem (CID 60800165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).