2-(4-fluoropiperidin-4-yl)-N-[4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]acetamide

C22H29FN4O — CID 142520357

IUPAC2-(4-fluoropiperidin-4-yl)-N-[4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]acetamide
SMILESCc1ccc(N2CC(C)C(NC(=O)CC3(F)CCNCC3)C2)c2cccnc12
InChIInChI=1S/C22H29FN4O/c1-15-5-6-19(17-4-3-9-25-21(15)17)27-13-16(2)18(14-27)26-20(28)12-22(23)7-10-24-11-8-22/h3-6,9,16,18,24H,7-8,10-14H2,1-2H3,(H,26,28)
InChIKeyDNGJYRGGNWZRRV-UHFFFAOYSA-N
MW384.50 g/mol
LogP2.97
Rot. Bonds4

About 2-(4-fluoropiperidin-4-yl)-N-[4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]acetamide

2-(4-fluoropiperidin-4-yl)-N-[4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]acetamide (PubChem CID 142520357) has the molecular formula C22H29FN4O and a molecular weight of 384.50 g/mol. Its IUPAC name is 2-(4-fluoropiperidin-4-yl)-N-[4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluoropiperidin-4-yl)-N-[4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]acetamide
PubChem CID142520357
Molecular FormulaC22H29FN4O
Molecular Weight384.50 g/mol
Exact Mass384.23
IUPAC Name2-(4-fluoropiperidin-4-yl)-N-[4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]acetamide
SMILESCc1ccc(N2CC(C)C(NC(=O)CC3(F)CCNCC3)C2)c2cccnc12
InChIInChI=1S/C22H29FN4O/c1-15-5-6-19(17-4-3-9-25-21(15)17)27-13-16(2)18(14-27)26-20(28)12-22(23)7-10-24-11-8-22/h3-6,9,16,18,24H,7-8,10-14H2,1-2H3,(H,26,28)
InChIKeyDNGJYRGGNWZRRV-UHFFFAOYSA-N
XLogP2.97
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(8-cyanoquinoxalin-5-yl)-4-methylpyrrolidin-3-yl]-2-(4-fluoropiperidin-4-yl)acetamide
CID 137424899
2-hydroxy-3-methyl-N-[(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]butanamide
CID 137423937
2-(1-methylpyrrolidin-3-yl)-N-[(4R)-4-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-yl]acetamide
CID 142520349
2-(4-fluoropiperidin-4-yl)-N-[1-[4-methyl-8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-yl]acetamide
CID 137424887
N-[1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-2-(4-fluoropiperidin-4-yl)acetamide
CID 146316841
2-(1-hydroxycyclopropyl)-N-[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]acetamide
CID 129241298
N-[(3R,5S)-5-(1,1-difluoroethyl)-1-(8-methylquinolin-5-yl)piperidin-3-yl]-2-(1-methylpiperidin-4-yl)acetamide
CID 170237844
2-(1-aminocyclohexyl)-N-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]acetamide
CID 166776942
4-(hydroxymethyl)-1-(8-methylquinolin-5-yl)pyrrolidin-2-one
CID 168662622
(3S)-N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-3-fluoropyrrolidine-3-carboxamide
CID 146329558
(3R,5S)-5-methyl-1-(8-methylquinolin-5-yl)piperidin-3-amine;hydrochloride
CID 129241158
N-[[6-methyl-4-(8-methylquinolin-5-yl)morpholin-2-yl]methyl]-2-(1-methylpiperidin-4-yl)acetamide
CID 146329598

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoropiperidin-4-yl)-N-[4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(4-fluoropiperidin-4-yl)-N-[4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]acetamide (CID 142520357) is 2-(4-fluoropiperidin-4-yl)-N-[4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(4-fluoropiperidin-4-yl)-N-[4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(4-fluoropiperidin-4-yl)-N-[4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]acetamide is Cc1ccc(N2CC(C)C(NC(=O)CC3(F)CCNCC3)C2)c2cccnc12.
What is the InChIKey of 2-(4-fluoropiperidin-4-yl)-N-[4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]acetamide?
The InChIKey is DNGJYRGGNWZRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN4O/c1-15-5-6-19(17-4-3-9-25-21(15)17)27-13-16(2)18(14-27)26-20(28)12-22(23)7-10-24-11-8-22/h3-6,9,16,18,24H,7-8,10-14H2,1-2H3,(H,26,28).
What are the key properties of 2-(4-fluoropiperidin-4-yl)-N-[4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]acetamide?
2-(4-fluoropiperidin-4-yl)-N-[4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]acetamide has a molecular weight of 384.50 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoropiperidin-4-yl)-N-[4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 142520357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).