1-(2-cyclopropyl-1,3-dioxoisoindol-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

C23H24N4O3 — CID 42246773

IUPAC1-(2-cyclopropyl-1,3-dioxoisoindol-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1cccnc1)C1CCN(c2cccc3c2C(=O)N(C2CC2)C3=O)CC1
InChIInChI=1S/C23H24N4O3/c28-21(25-14-15-3-2-10-24-13-15)16-8-11-26(12-9-16)19-5-1-4-18-20(19)23(30)27(22(18)29)17-6-7-17/h1-5,10,13,16-17H,6-9,11-12,14H2,(H,25,28)
InChIKeyMZFJDEOHPUZYIJ-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.37
Rot. Bonds5

About 1-(2-cyclopropyl-1,3-dioxoisoindol-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

1-(2-cyclopropyl-1,3-dioxoisoindol-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 42246773) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 1-(2-cyclopropyl-1,3-dioxoisoindol-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyclopropyl-1,3-dioxoisoindol-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
PubChem CID42246773
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name1-(2-cyclopropyl-1,3-dioxoisoindol-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1cccnc1)C1CCN(c2cccc3c2C(=O)N(C2CC2)C3=O)CC1
InChIInChI=1S/C23H24N4O3/c28-21(25-14-15-3-2-10-24-13-15)16-8-11-26(12-9-16)19-5-1-4-18-20(19)23(30)27(22(18)29)17-6-7-17/h1-5,10,13,16-17H,6-9,11-12,14H2,(H,25,28)
InChIKeyMZFJDEOHPUZYIJ-UHFFFAOYSA-N
XLogP2.37
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.37
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

6-[4-(pyridin-3-ylmethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxylic acid
CID 122053589
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891
1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3404052
2-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 24719003
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
4-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 71166492
1-[1-(1-propylpiperidin-4-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 28641556
2-cyclooctyl-4-[4-(piperidine-1-carbonyl)piperidin-1-yl]isoindole-1,3-dione
CID 42172001
N-(pyridin-3-ylmethyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxamide
CID 133371811
1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 26403658
1-(8-methoxy-2-methylquinolin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 133453800

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-1,3-dioxoisoindol-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-cyclopropyl-1,3-dioxoisoindol-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (CID 42246773) is 1-(2-cyclopropyl-1,3-dioxoisoindol-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-cyclopropyl-1,3-dioxoisoindol-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-cyclopropyl-1,3-dioxoisoindol-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is O=C(NCc1cccnc1)C1CCN(c2cccc3c2C(=O)N(C2CC2)C3=O)CC1.
What is the InChIKey of 1-(2-cyclopropyl-1,3-dioxoisoindol-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is MZFJDEOHPUZYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c28-21(25-14-15-3-2-10-24-13-15)16-8-11-26(12-9-16)19-5-1-4-18-20(19)23(30)27(22(18)29)17-6-7-17/h1-5,10,13,16-17H,6-9,11-12,14H2,(H,25,28).
What are the key properties of 1-(2-cyclopropyl-1,3-dioxoisoindol-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
1-(2-cyclopropyl-1,3-dioxoisoindol-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-1,3-dioxoisoindol-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 42246773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).