8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one

C32H42Cl2N4O3 — CID 10348585

IUPAC8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCCCCC(=O)N1CCC(CCCN2CCC3(CC2)C(=O)NCN3c2cccc(OC)c2)(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C32H42Cl2N4O3/c1-3-4-9-29(39)37-19-13-31(22-37,24-10-11-27(33)28(34)20-24)12-6-16-36-17-14-32(15-18-36)30(40)35-23-38(32)25-7-5-8-26(21-25)41-2/h5,7-8,10-11,20-21H,3-4,6,9,12-19,22-23H2,1-2H3,(H,35,40)
InChIKeyIKKRQJYTVUIEDW-UHFFFAOYSA-N
MW601.62 g/mol
LogP5.87
Rot. Bonds10

About 8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one

8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 10348585) has the molecular formula C32H42Cl2N4O3 and a molecular weight of 601.62 g/mol. Its IUPAC name is 8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID10348585
Molecular FormulaC32H42Cl2N4O3
Molecular Weight601.62 g/mol
Exact Mass600.26
IUPAC Name8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCCCCC(=O)N1CCC(CCCN2CCC3(CC2)C(=O)NCN3c2cccc(OC)c2)(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C32H42Cl2N4O3/c1-3-4-9-29(39)37-19-13-31(22-37,24-10-11-27(33)28(34)20-24)12-6-16-36-17-14-32(15-18-36)30(40)35-23-38(32)25-7-5-8-26(21-25)41-2/h5,7-8,10-11,20-21H,3-4,6,9,12-19,22-23H2,1-2H3,(H,35,40)
InChIKeyIKKRQJYTVUIEDW-UHFFFAOYSA-N
XLogP5.87
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.62
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one with MolForge

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Related Compounds

(E)-3-(3,4-dichlorophenyl)-N-[5-[4-[(3-methoxyphenyl)carbamoylamino]piperidin-1-yl]pentyl]prop-2-enamide
CID 44533519
Pyrrolidine-1,2-dicarboxylic acid 2-(4-chloro-benzylamide) 1-[(3-methoxy-phenyl)-amide]
CID 3221401
1-[2-(3,4-Dichlorophenyl)-4-(4-piperidin-1-ylpiperidin-1-yl)butyl]-3-(3-methoxyphenyl)urea
CID 44388141
4-(5-(3-(3,4-dichlorophenyl)acrylamido)pentyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 44420028
N-[2-(4-chlorophenyl)ethyl]-1-[1-(3-methoxyphenyl)-2-oxoimidazolidine-4-carbonyl]pyrrolidine-3-carboxamide
CID 134792268
N-[(3-chlorophenyl)methyl]-1-[1-(3-methoxyphenyl)-2-oxoimidazolidine-4-carbonyl]pyrrolidine-3-carboxamide
CID 134793190
N-[2-(4-chlorophenyl)ethyl]-1-(3-methoxyphenyl)-2-oxoimidazolidine-4-carboxamide
CID 134793325
(2S)-N-[[1-[(3,4-dichlorophenyl)methyl]-4-piperidyl]methyl]-2-[(3-methoxyphenyl)carbamothioylamino]propanamide
CID 3006339
(2S)-N-[(2S)-1-[[(2S)-1-amino-3-(3-chlorophenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[(3-methoxyphenyl)carbamoylamino]-3,3-dimethylbutanamide
CID 9808990
Tert-butyl 3-(3,4-dichlorophenyl)-3-[3-[1-(3-methoxyphenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]propyl]pyrrolidine-1-carboxylate
CID 9986318
8-[2-[1-(Cyclopentanecarbonyl)-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]oxyethyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one
CID 10054545
8-[3-[1-(Cyclobutanecarbonyl)-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one
CID 10100093

Frequently Asked Questions

What is the IUPAC name of 8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one (CID 10348585) is 8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one is CCCCC(=O)N1CCC(CCCN2CCC3(CC2)C(=O)NCN3c2cccc(OC)c2)(c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is IKKRQJYTVUIEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42Cl2N4O3/c1-3-4-9-29(39)37-19-13-31(22-37,24-10-11-27(33)28(34)20-24)12-6-16-36-17-14-32(15-18-36)30(40)35-23-38(32)25-7-5-8-26(21-25)41-2/h5,7-8,10-11,20-21H,3-4,6,9,12-19,22-23H2,1-2H3,(H,35,40).
What are the key properties of 8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one?
8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 601.62 g/mol, XLogP of 5.87, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[3-(3,4-dichlorophenyl)-1-pentanoylpyrrolidin-3-yl]propyl]-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 10348585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).