1-(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide

C24H29N3O3 — CID 5308510

IUPAC1-(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
SMILESO=C(NC1CCCc2ccccc21)C1CCN(c2c(N3CCCC3)c(=O)c2=O)CC1
InChIInChI=1S/C24H29N3O3/c28-22-20(26-12-3-4-13-26)21(23(22)29)27-14-10-17(11-15-27)24(30)25-19-9-5-7-16-6-1-2-8-18(16)19/h1-2,6,8,17,19H,3-5,7,9-15H2,(H,25,30)
InChIKeyCTVRJEYKKZZEKS-UHFFFAOYSA-N
MW407.51 g/mol
LogP2.29
Rot. Bonds4

About 1-(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide

1-(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide (PubChem CID 5308510) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 1-(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
PubChem CID5308510
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name1-(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
SMILESO=C(NC1CCCc2ccccc21)C1CCN(c2c(N3CCCC3)c(=O)c2=O)CC1
InChIInChI=1S/C24H29N3O3/c28-22-20(26-12-3-4-13-26)21(23(22)29)27-14-10-17(11-15-27)24(30)25-19-9-5-7-16-6-1-2-8-18(16)19/h1-2,6,8,17,19H,3-5,7,9-15H2,(H,25,30)
InChIKeyCTVRJEYKKZZEKS-UHFFFAOYSA-N
XLogP2.29
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide (CID 5308510) is 1-(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide is O=C(NC1CCCc2ccccc21)C1CCN(c2c(N3CCCC3)c(=O)c2=O)CC1.
What is the InChIKey of 1-(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide?
The InChIKey is CTVRJEYKKZZEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c28-22-20(26-12-3-4-13-26)21(23(22)29)27-14-10-17(11-15-27)24(30)25-19-9-5-7-16-6-1-2-8-18(16)19/h1-2,6,8,17,19H,3-5,7,9-15H2,(H,25,30).
What are the key properties of 1-(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide?
1-(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide has a molecular weight of 407.51 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide is sourced from PubChem (CID 5308510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).