N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-piperidin-4-ylbutanamide

C19H25N3O3 — CID 119741133

IUPACN-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NCCN1C(=O)c2ccccc2C1=O)C1CCNCC1
InChIInChI=1S/C19H25N3O3/c1-13(14-6-8-20-9-7-14)12-17(23)21-10-11-22-18(24)15-4-2-3-5-16(15)19(22)25/h2-5,13-14,20H,6-12H2,1H3,(H,21,23)
InChIKeyNVVNOCJCFGKSPK-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.42
Rot. Bonds6

About N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-piperidin-4-ylbutanamide

N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-piperidin-4-ylbutanamide (PubChem CID 119741133) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-piperidin-4-ylbutanamide
PubChem CID119741133
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NCCN1C(=O)c2ccccc2C1=O)C1CCNCC1
InChIInChI=1S/C19H25N3O3/c1-13(14-6-8-20-9-7-14)12-17(23)21-10-11-22-18(24)15-4-2-3-5-16(15)19(22)25/h2-5,13-14,20H,6-12H2,1H3,(H,21,23)
InChIKeyNVVNOCJCFGKSPK-UHFFFAOYSA-N
XLogP1.42
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-piperidin-4-ylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119741122
2-[(3R)-3-piperidin-4-ylbutyl]isoindole-1,3-dione
CID 70929216
N-(3,3-diphenylpropyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675926
N-[2-(2-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119688197
N-(2-phenoxyethyl)-3-piperidin-4-ylbutanamide
CID 119684535
2,6-difluoro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide
CID 119785718
N-(2-naphthalen-1-ylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119722521
N-[2-(2,6-dimethylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119788057
N-[2-(4-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119789313
2-chloro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide
CID 119703578
N-(2-phenylsulfanylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119691430
N-[2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]-3-methylbutanamide
CID 108538484

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-piperidin-4-ylbutanamide (CID 119741133) is N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-piperidin-4-ylbutanamide is CC(CC(=O)NCCN1C(=O)c2ccccc2C1=O)C1CCNCC1.
What is the InChIKey of N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-piperidin-4-ylbutanamide?
The InChIKey is NVVNOCJCFGKSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13(14-6-8-20-9-7-14)12-17(23)21-10-11-22-18(24)15-4-2-3-5-16(15)19(22)25/h2-5,13-14,20H,6-12H2,1H3,(H,21,23).
What are the key properties of N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-piperidin-4-ylbutanamide?
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-piperidin-4-ylbutanamide has a molecular weight of 343.43 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119741133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).