1-(2-amino-2-oxoethyl)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]piperidine-4-carboxamide

C19H28N4O2 — CID 70742720

IUPAC1-(2-amino-2-oxoethyl)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]piperidine-4-carboxamide
SMILESCN1Cc2ccc(CN(C)C(=O)C3CCN(CC(N)=O)CC3)cc2C1
InChIInChI=1S/C19H28N4O2/c1-21-11-16-4-3-14(9-17(16)12-21)10-22(2)19(25)15-5-7-23(8-6-15)13-18(20)24/h3-4,9,15H,5-8,10-13H2,1-2H3,(H2,20,24)
InChIKeyTYNILADZPZXWKM-UHFFFAOYSA-N
MW344.46 g/mol
LogP0.79
Rot. Bonds5

About 1-(2-amino-2-oxoethyl)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]piperidine-4-carboxamide

1-(2-amino-2-oxoethyl)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]piperidine-4-carboxamide (PubChem CID 70742720) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]piperidine-4-carboxamide
PubChem CID70742720
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name1-(2-amino-2-oxoethyl)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]piperidine-4-carboxamide
SMILESCN1Cc2ccc(CN(C)C(=O)C3CCN(CC(N)=O)CC3)cc2C1
InChIInChI=1S/C19H28N4O2/c1-21-11-16-4-3-14(9-17(16)12-21)10-22(2)19(25)15-5-7-23(8-6-15)13-18(20)24/h3-4,9,15H,5-8,10-13H2,1-2H3,(H2,20,24)
InChIKeyTYNILADZPZXWKM-UHFFFAOYSA-N
XLogP0.79
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-amino-2-oxoethyl)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

(2R)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]spiro[2.2]pentane-2-carboxamide
CID 126443036
2-(2-methyl-1,3-dihydroisoindol-5-yl)acetamide
CID 141413886
4-(2-aminoethyl)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]benzamide
CID 122559119
1-(2-amino-2-oxoethyl)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methylpiperidine-3-carboxamide
CID 131922182
1-(2-amino-2-oxoethyl)-N-methyl-N-[(3-methylsulfanylphenyl)methyl]piperidine-3-carboxamide
CID 131890414
2-[4-[[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]amino]piperidin-1-yl]acetamide
CID 51084112
N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 1076471
2-(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 110456802
formic acid;N,2,4-trimethyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-1,3-oxazole-5-carboxamide
CID 154908958
1-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 8530730
1-acetyl-N-(1,3-benzodioxol-5-ylmethyl)-N-methylpiperidine-4-carboxamide
CID 32544635
N-benzyl-1-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid
CID 163328607

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-amino-2-oxoethyl)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]piperidine-4-carboxamide (CID 70742720) is 1-(2-amino-2-oxoethyl)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-amino-2-oxoethyl)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]piperidine-4-carboxamide is CN1Cc2ccc(CN(C)C(=O)C3CCN(CC(N)=O)CC3)cc2C1.
What is the InChIKey of 1-(2-amino-2-oxoethyl)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]piperidine-4-carboxamide?
The InChIKey is TYNILADZPZXWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-21-11-16-4-3-14(9-17(16)12-21)10-22(2)19(25)15-5-7-23(8-6-15)13-18(20)24/h3-4,9,15H,5-8,10-13H2,1-2H3,(H2,20,24).
What are the key properties of 1-(2-amino-2-oxoethyl)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]piperidine-4-carboxamide?
1-(2-amino-2-oxoethyl)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]piperidine-4-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-oxoethyl)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 70742720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).