(3R)-1-(2-cyclopropyl-1,3-dioxoisoindol-4-yl)-N-prop-2-enylpiperidine-3-carboxamide

C20H23N3O3 — CID 42424487

IUPAC(3R)-1-(2-cyclopropyl-1,3-dioxoisoindol-4-yl)-N-prop-2-enylpiperidine-3-carboxamide
SMILESC=CCNC(=O)[C@@H]1CCCN(c2cccc3c2C(=O)N(C2CC2)C3=O)C1
InChIInChI=1S/C20H23N3O3/c1-2-10-21-18(24)13-5-4-11-22(12-13)16-7-3-6-15-17(16)20(26)23(19(15)25)14-8-9-14/h2-3,6-7,13-14H,1,4-5,8-12H2,(H,21,24)/t13-/m1/s1
InChIKeyRKAUYJWJXFVJKN-CYBMUJFWSA-N
MW353.42 g/mol
LogP1.96
Rot. Bonds5

About (3R)-1-(2-cyclopropyl-1,3-dioxoisoindol-4-yl)-N-prop-2-enylpiperidine-3-carboxamide

(3R)-1-(2-cyclopropyl-1,3-dioxoisoindol-4-yl)-N-prop-2-enylpiperidine-3-carboxamide (PubChem CID 42424487) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is (3R)-1-(2-cyclopropyl-1,3-dioxoisoindol-4-yl)-N-prop-2-enylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2-cyclopropyl-1,3-dioxoisoindol-4-yl)-N-prop-2-enylpiperidine-3-carboxamide
PubChem CID42424487
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name(3R)-1-(2-cyclopropyl-1,3-dioxoisoindol-4-yl)-N-prop-2-enylpiperidine-3-carboxamide
SMILESC=CCNC(=O)[C@@H]1CCCN(c2cccc3c2C(=O)N(C2CC2)C3=O)C1
InChIInChI=1S/C20H23N3O3/c1-2-10-21-18(24)13-5-4-11-22(12-13)16-7-3-6-15-17(16)20(26)23(19(15)25)14-8-9-14/h2-3,6-7,13-14H,1,4-5,8-12H2,(H,21,24)/t13-/m1/s1
InChIKeyRKAUYJWJXFVJKN-CYBMUJFWSA-N
XLogP1.96
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

1-(2-cyclooctyl-1,3-dioxoisoindol-4-yl)-N-prop-2-enylpiperidine-3-carboxamide
CID 118756495
(3R)-1-[2-[(3S)-1,1-dioxothiolan-3-yl]-1,3-dioxoisoindol-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 125176357
2-cyclohexyl-4-piperidin-1-ylisoindole-1,3-dione
CID 139204663
(3R)-1-[2-[(4R)-2,2-dimethyloxan-4-yl]-1,3-dioxoisoindol-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 42484936
1-(2-cyclopropyl-1,3-dioxoisoindol-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 42246773
2-cyclooctyl-4-[4-(piperidine-1-carbonyl)piperidin-1-yl]isoindole-1,3-dione
CID 42172001
(3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[2-[(4S)-2,2-dimethyloxan-4-yl]-1,3-dioxoisoindol-4-yl]piperidine-3-carboxamide
CID 129426413
2-cycloheptyl-4-[4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]isoindole-1,3-dione
CID 42372193
(3R)-1-(1-methylbenzimidazol-2-yl)-N-prop-2-enylpiperidine-3-carboxamide
CID 95849384
(3S)-1-[1,3-dioxo-2-[[(2S)-oxolan-2-yl]methyl]isoindol-4-yl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 42472503
(3R)-1-benzyl-N-prop-2-enylpiperidine-3-carboxamide
CID 93490114
N-prop-2-enyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 23607875

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-cyclopropyl-1,3-dioxoisoindol-4-yl)-N-prop-2-enylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-(2-cyclopropyl-1,3-dioxoisoindol-4-yl)-N-prop-2-enylpiperidine-3-carboxamide (CID 42424487) is (3R)-1-(2-cyclopropyl-1,3-dioxoisoindol-4-yl)-N-prop-2-enylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2-cyclopropyl-1,3-dioxoisoindol-4-yl)-N-prop-2-enylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2-cyclopropyl-1,3-dioxoisoindol-4-yl)-N-prop-2-enylpiperidine-3-carboxamide is C=CCNC(=O)[C@@H]1CCCN(c2cccc3c2C(=O)N(C2CC2)C3=O)C1.
What is the InChIKey of (3R)-1-(2-cyclopropyl-1,3-dioxoisoindol-4-yl)-N-prop-2-enylpiperidine-3-carboxamide?
The InChIKey is RKAUYJWJXFVJKN-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-2-10-21-18(24)13-5-4-11-22(12-13)16-7-3-6-15-17(16)20(26)23(19(15)25)14-8-9-14/h2-3,6-7,13-14H,1,4-5,8-12H2,(H,21,24)/t13-/m1/s1.
What are the key properties of (3R)-1-(2-cyclopropyl-1,3-dioxoisoindol-4-yl)-N-prop-2-enylpiperidine-3-carboxamide?
(3R)-1-(2-cyclopropyl-1,3-dioxoisoindol-4-yl)-N-prop-2-enylpiperidine-3-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-cyclopropyl-1,3-dioxoisoindol-4-yl)-N-prop-2-enylpiperidine-3-carboxamide is sourced from PubChem (CID 42424487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).