N-[(1-acetylpiperidin-4-yl)-(2,5-dioxoimidazolidin-4-yl)methyl]-4-(quinolin-5-yloxymethyl)benzamide

C28H29N5O5 — CID 10301387

IUPACN-[(1-acetylpiperidin-4-yl)-(2,5-dioxoimidazolidin-4-yl)methyl]-4-(quinolin-5-yloxymethyl)benzamide
SMILESCC(=O)N1CCC(C(NC(=O)c2ccc(COc3cccc4ncccc34)cc2)C2NC(=O)NC2=O)CC1
InChIInChI=1S/C28H29N5O5/c1-17(34)33-14-11-19(12-15-33)24(25-27(36)32-28(37)31-25)30-26(35)20-9-7-18(8-10-20)16-38-23-6-2-5-22-21(23)4-3-13-29-22/h2-10,13,19,24-25H,11-12,14-16H2,1H3,(H,30,35)(H2,31,32,36,37)
InChIKeyAEFCIRLKBNUNSA-UHFFFAOYSA-N
MW515.57 g/mol
LogP2.38
Rot. Bonds7

About N-[(1-acetylpiperidin-4-yl)-(2,5-dioxoimidazolidin-4-yl)methyl]-4-(quinolin-5-yloxymethyl)benzamide

N-[(1-acetylpiperidin-4-yl)-(2,5-dioxoimidazolidin-4-yl)methyl]-4-(quinolin-5-yloxymethyl)benzamide (PubChem CID 10301387) has the molecular formula C28H29N5O5 and a molecular weight of 515.57 g/mol. Its IUPAC name is N-[(1-acetylpiperidin-4-yl)-(2,5-dioxoimidazolidin-4-yl)methyl]-4-(quinolin-5-yloxymethyl)benzamide.

Molecular Properties

Compound NameN-[(1-acetylpiperidin-4-yl)-(2,5-dioxoimidazolidin-4-yl)methyl]-4-(quinolin-5-yloxymethyl)benzamide
PubChem CID10301387
Molecular FormulaC28H29N5O5
Molecular Weight515.57 g/mol
Exact Mass515.22
IUPAC NameN-[(1-acetylpiperidin-4-yl)-(2,5-dioxoimidazolidin-4-yl)methyl]-4-(quinolin-5-yloxymethyl)benzamide
SMILESCC(=O)N1CCC(C(NC(=O)c2ccc(COc3cccc4ncccc34)cc2)C2NC(=O)NC2=O)CC1
InChIInChI=1S/C28H29N5O5/c1-17(34)33-14-11-19(12-15-33)24(25-27(36)32-28(37)31-25)30-26(35)20-9-7-18(8-10-20)16-38-23-6-2-5-22-21(23)4-3-13-29-22/h2-10,13,19,24-25H,11-12,14-16H2,1H3,(H,30,35)(H2,31,32,36,37)
InChIKeyAEFCIRLKBNUNSA-UHFFFAOYSA-N
XLogP2.38
TPSA129.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.57
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-acetylpiperidin-4-yl)-(2,5-dioxoimidazolidin-4-yl)methyl]-4-[(2-methylquinolin-4-yl)methyl]benzamide
CID 22392764
4-(quinolin-5-yloxymethyl)benzenecarbothioamide
CID 103044813
1-cyclopentyl-2-quinolin-5-yloxyethanol
CID 103045508
1-[4-[(2S)-2-hydroxy-3-quinolin-4-ylpropyl]piperidin-1-yl]ethanone
CID 92534411
7-[1-[4-(methoxymethyl)benzoyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one
CID 92611469
N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-oxo-2-(propylamino)ethyl]-4-fluorobenzamide
CID 93178716
tert-butyl 4-quinolin-5-yloxypiperidine-1-carboxylate
CID 170614892
4-(naphthalen-1-yloxymethyl)benzohydrazide
CID 948904
(2-methoxy-3-pyridinyl) 4-[1-[(4-chlorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate
CID 137372714
pyridin-4-yl-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 124970603
1-[4-(naphthalen-1-yloxymethyl)phenyl]ethanone
CID 134094222
(2-methylpyrimidin-5-yl)-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 124966364

Frequently Asked Questions

What is the IUPAC name of N-[(1-acetylpiperidin-4-yl)-(2,5-dioxoimidazolidin-4-yl)methyl]-4-(quinolin-5-yloxymethyl)benzamide?
The IUPAC name of N-[(1-acetylpiperidin-4-yl)-(2,5-dioxoimidazolidin-4-yl)methyl]-4-(quinolin-5-yloxymethyl)benzamide (CID 10301387) is N-[(1-acetylpiperidin-4-yl)-(2,5-dioxoimidazolidin-4-yl)methyl]-4-(quinolin-5-yloxymethyl)benzamide.
What is the SMILES notation for N-[(1-acetylpiperidin-4-yl)-(2,5-dioxoimidazolidin-4-yl)methyl]-4-(quinolin-5-yloxymethyl)benzamide?
The canonical SMILES for N-[(1-acetylpiperidin-4-yl)-(2,5-dioxoimidazolidin-4-yl)methyl]-4-(quinolin-5-yloxymethyl)benzamide is CC(=O)N1CCC(C(NC(=O)c2ccc(COc3cccc4ncccc34)cc2)C2NC(=O)NC2=O)CC1.
What is the InChIKey of N-[(1-acetylpiperidin-4-yl)-(2,5-dioxoimidazolidin-4-yl)methyl]-4-(quinolin-5-yloxymethyl)benzamide?
The InChIKey is AEFCIRLKBNUNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O5/c1-17(34)33-14-11-19(12-15-33)24(25-27(36)32-28(37)31-25)30-26(35)20-9-7-18(8-10-20)16-38-23-6-2-5-22-21(23)4-3-13-29-22/h2-10,13,19,24-25H,11-12,14-16H2,1H3,(H,30,35)(H2,31,32,36,37).
What are the key properties of N-[(1-acetylpiperidin-4-yl)-(2,5-dioxoimidazolidin-4-yl)methyl]-4-(quinolin-5-yloxymethyl)benzamide?
N-[(1-acetylpiperidin-4-yl)-(2,5-dioxoimidazolidin-4-yl)methyl]-4-(quinolin-5-yloxymethyl)benzamide has a molecular weight of 515.57 g/mol, XLogP of 2.38, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-acetylpiperidin-4-yl)-(2,5-dioxoimidazolidin-4-yl)methyl]-4-(quinolin-5-yloxymethyl)benzamide is sourced from PubChem (CID 10301387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).