2-(1-methylidene-3-oxoisoindol-2-yl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide

C24H27N3O2 — CID 17466380

IUPAC2-(1-methylidene-3-oxoisoindol-2-yl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)NCc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C24H27N3O2/c1-18-21-7-3-4-8-22(21)24(29)27(18)17-23(28)25-15-19-9-11-20(12-10-19)16-26-13-5-2-6-14-26/h3-4,7-12H,1-2,5-6,13-17H2,(H,25,28)
InChIKeyZGVLRLTXHUZXGN-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.42
Rot. Bonds6

About 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide

2-(1-methylidene-3-oxoisoindol-2-yl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 17466380) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(1-methylidene-3-oxoisoindol-2-yl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID17466380
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name2-(1-methylidene-3-oxoisoindol-2-yl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)NCc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C24H27N3O2/c1-18-21-7-3-4-8-22(21)24(29)27(18)17-23(28)25-15-19-9-11-20(12-10-19)16-26-13-5-2-6-14-26/h3-4,7-12H,1-2,5-6,13-17H2,(H,25,28)
InChIKeyZGVLRLTXHUZXGN-UHFFFAOYSA-N
XLogP3.42
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-acetamidophenyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 18154251
2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 30863248
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 51232557
2-(1-methylidene-3-oxoisoindol-2-yl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 55709832
2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide
CID 55980936
2-(2-oxo-1-pyridinyl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 24643030
2-(1-methylidene-3-oxoisoindol-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 18157247
2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]acetamide
CID 92845510
2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 874332
N-[(1-hydroxycycloheptyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 111433260
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 24516091
N-[[3-(difluoromethoxy)phenyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 49336908

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide (CID 17466380) is 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide is C=C1c2ccccc2C(=O)N1CC(=O)NCc1ccc(CN2CCCCC2)cc1.
What is the InChIKey of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is ZGVLRLTXHUZXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-18-21-7-3-4-8-22(21)24(29)27(18)17-23(28)25-15-19-9-11-20(12-10-19)16-26-13-5-2-6-14-26/h3-4,7-12H,1-2,5-6,13-17H2,(H,25,28).
What are the key properties of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide?
2-(1-methylidene-3-oxoisoindol-2-yl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 389.50 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 17466380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).