3-(furan-2-ylmethyl)-5-[1-(naphthalene-1-carbonyl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione

C27H29N3O4 — CID 118754358

IUPAC3-(furan-2-ylmethyl)-5-[1-(naphthalene-1-carbonyl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione
SMILESCCCC1(C2CCN(C(=O)c3cccc4ccccc34)CC2)NC(=O)N(Cc2ccco2)C1=O
InChIInChI=1S/C27H29N3O4/c1-2-14-27(25(32)30(26(33)28-27)18-21-9-6-17-34-21)20-12-15-29(16-13-20)24(31)23-11-5-8-19-7-3-4-10-22(19)23/h3-11,17,20H,2,12-16,18H2,1H3,(H,28,33)
InChIKeyJPDNHEXRABZUFJ-UHFFFAOYSA-N
MW459.55 g/mol
LogP4.58
Rot. Bonds6

About 3-(furan-2-ylmethyl)-5-[1-(naphthalene-1-carbonyl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione

3-(furan-2-ylmethyl)-5-[1-(naphthalene-1-carbonyl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione (PubChem CID 118754358) has the molecular formula C27H29N3O4 and a molecular weight of 459.55 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-5-[1-(naphthalene-1-carbonyl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-5-[1-(naphthalene-1-carbonyl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione
PubChem CID118754358
Molecular FormulaC27H29N3O4
Molecular Weight459.55 g/mol
Exact Mass459.22
IUPAC Name3-(furan-2-ylmethyl)-5-[1-(naphthalene-1-carbonyl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione
SMILESCCCC1(C2CCN(C(=O)c3cccc4ccccc34)CC2)NC(=O)N(Cc2ccco2)C1=O
InChIInChI=1S/C27H29N3O4/c1-2-14-27(25(32)30(26(33)28-27)18-21-9-6-17-34-21)20-12-15-29(16-13-20)24(31)23-11-5-8-19-7-3-4-10-22(19)23/h3-11,17,20H,2,12-16,18H2,1H3,(H,28,33)
InChIKeyJPDNHEXRABZUFJ-UHFFFAOYSA-N
XLogP4.58
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(furan-2-ylmethyl)-5-[1-(naphthalene-1-carbonyl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione with MolForge

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Related Compounds

5-[1-(5-chloro-2-fluorobenzoyl)piperidin-4-yl]-3-(furan-2-ylmethyl)-5-propylimidazolidine-2,4-dione
CID 45168671
(5S)-3-(furan-2-ylmethyl)-5-[1-[(2R)-2-phenoxypropanoyl]piperidin-4-yl]-5-propylimidazolidine-2,4-dione
CID 26275125
(5S)-5-[1-(2,3-dimethoxybenzoyl)piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-propylimidazolidine-2,4-dione
CID 26277668
[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]-naphthalen-1-ylmethanone
CID 71801069
5-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione
CID 45168439
(5R)-3-[[(2R)-oxolan-2-yl]methyl]-5-[1-(4-piperidin-1-ylbenzoyl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione
CID 42365882
N-(furan-2-ylmethyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 51239969
(5R)-5-benzyl-5-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 26324095
(5R)-5-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-5-propyl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 26278568
(5R)-3-[[(2R)-oxolan-2-yl]methyl]-5-[1-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidin-4-yl]-5-propylimidazolidine-2,4-dione
CID 42274286
(5R)-5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-5-propylimidazolidine-2,4-dione
CID 42274825
(5R)-3-[2-(dimethylamino)ethyl]-5-[1-(2-fluorobenzoyl)piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 42465176

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-5-[1-(naphthalene-1-carbonyl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione?
The IUPAC name of 3-(furan-2-ylmethyl)-5-[1-(naphthalene-1-carbonyl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione (CID 118754358) is 3-(furan-2-ylmethyl)-5-[1-(naphthalene-1-carbonyl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(furan-2-ylmethyl)-5-[1-(naphthalene-1-carbonyl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione?
The canonical SMILES for 3-(furan-2-ylmethyl)-5-[1-(naphthalene-1-carbonyl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione is CCCC1(C2CCN(C(=O)c3cccc4ccccc34)CC2)NC(=O)N(Cc2ccco2)C1=O.
What is the InChIKey of 3-(furan-2-ylmethyl)-5-[1-(naphthalene-1-carbonyl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione?
The InChIKey is JPDNHEXRABZUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O4/c1-2-14-27(25(32)30(26(33)28-27)18-21-9-6-17-34-21)20-12-15-29(16-13-20)24(31)23-11-5-8-19-7-3-4-10-22(19)23/h3-11,17,20H,2,12-16,18H2,1H3,(H,28,33).
What are the key properties of 3-(furan-2-ylmethyl)-5-[1-(naphthalene-1-carbonyl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione?
3-(furan-2-ylmethyl)-5-[1-(naphthalene-1-carbonyl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione has a molecular weight of 459.55 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-5-[1-(naphthalene-1-carbonyl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 118754358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).