N-[1-(2-cyanoacetyl)piperidin-4-yl]-2-(1,3-dioxoisoindol-2-yl)propanamide

C19H20N4O4 — CID 108551631

IUPACN-[1-(2-cyanoacetyl)piperidin-4-yl]-2-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCC(C(=O)NC1CCN(C(=O)CC#N)CC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H20N4O4/c1-12(23-18(26)14-4-2-3-5-15(14)19(23)27)17(25)21-13-7-10-22(11-8-13)16(24)6-9-20/h2-5,12-13H,6-8,10-11H2,1H3,(H,21,25)
InChIKeyNUPWIKAWZPWFKQ-UHFFFAOYSA-N
MW368.39 g/mol
LogP0.69
Rot. Bonds4

About N-[1-(2-cyanoacetyl)piperidin-4-yl]-2-(1,3-dioxoisoindol-2-yl)propanamide

N-[1-(2-cyanoacetyl)piperidin-4-yl]-2-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 108551631) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is N-[1-(2-cyanoacetyl)piperidin-4-yl]-2-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-[1-(2-cyanoacetyl)piperidin-4-yl]-2-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID108551631
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC NameN-[1-(2-cyanoacetyl)piperidin-4-yl]-2-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCC(C(=O)NC1CCN(C(=O)CC#N)CC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H20N4O4/c1-12(23-18(26)14-4-2-3-5-15(14)19(23)27)17(25)21-13-7-10-22(11-8-13)16(24)6-9-20/h2-5,12-13H,6-8,10-11H2,1H3,(H,21,25)
InChIKeyNUPWIKAWZPWFKQ-UHFFFAOYSA-N
XLogP0.69
TPSA110.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 108922004
2-(1,3-dioxoisoindol-2-yl)-N-[1-(4-oxopentanoyl)piperidin-4-yl]propanamide
CID 108551680
2-(1,3-dioxoisoindol-2-yl)-N-[1-(3-hydroxybenzoyl)piperidin-4-yl]propanamide
CID 108551682
N-(1-butylsulfonylpiperidin-4-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 108560252
(2S)-N-(1-acetylpiperidin-4-yl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 39966068
3-chloro-N-[1-[2-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]-2,2-dimethylpropanamide
CID 108564507
N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-2-methylpropanamide
CID 108558510
N-[1-(2-cyanoacetyl)piperidin-4-yl]-2-(2-ethylphenoxy)acetamide
CID 108557028
ethyl 4-[[2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]piperidine-1-carboxylate
CID 55349281
benzyl N-[1-[2-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]carbamate
CID 108564521
2-(5-amino-1,3-dioxoisoindol-2-yl)-N-cyclopropylpropanamide
CID 115579378
3-[4-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]-1,4-diazepan-1-yl]-3-oxopropanenitrile
CID 108543313

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-cyanoacetyl)piperidin-4-yl]-2-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-[1-(2-cyanoacetyl)piperidin-4-yl]-2-(1,3-dioxoisoindol-2-yl)propanamide (CID 108551631) is N-[1-(2-cyanoacetyl)piperidin-4-yl]-2-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-[1-(2-cyanoacetyl)piperidin-4-yl]-2-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-[1-(2-cyanoacetyl)piperidin-4-yl]-2-(1,3-dioxoisoindol-2-yl)propanamide is CC(C(=O)NC1CCN(C(=O)CC#N)CC1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-[1-(2-cyanoacetyl)piperidin-4-yl]-2-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is NUPWIKAWZPWFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-12(23-18(26)14-4-2-3-5-15(14)19(23)27)17(25)21-13-7-10-22(11-8-13)16(24)6-9-20/h2-5,12-13H,6-8,10-11H2,1H3,(H,21,25).
What are the key properties of N-[1-(2-cyanoacetyl)piperidin-4-yl]-2-(1,3-dioxoisoindol-2-yl)propanamide?
N-[1-(2-cyanoacetyl)piperidin-4-yl]-2-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 368.39 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-cyanoacetyl)piperidin-4-yl]-2-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 108551631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).