2-[1-(2-ethylquinolin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone

C22H29N3O — CID 133400414

IUPAC2-[1-(2-ethylquinolin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
SMILESCCc1cc(N2CCC(CC(=O)N3CCCC3)CC2)c2ccccc2n1
InChIInChI=1S/C22H29N3O/c1-2-18-16-21(19-7-3-4-8-20(19)23-18)24-13-9-17(10-14-24)15-22(26)25-11-5-6-12-25/h3-4,7-8,16-17H,2,5-6,9-15H2,1H3
InChIKeyDQCSQRKIQAKBJK-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.03
Rot. Bonds4

About 2-[1-(2-ethylquinolin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone

2-[1-(2-ethylquinolin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 133400414) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 2-[1-(2-ethylquinolin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[1-(2-ethylquinolin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
PubChem CID133400414
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name2-[1-(2-ethylquinolin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
SMILESCCc1cc(N2CCC(CC(=O)N3CCCC3)CC2)c2ccccc2n1
InChIInChI=1S/C22H29N3O/c1-2-18-16-21(19-7-3-4-8-20(19)23-18)24-13-9-17(10-14-24)15-22(26)25-11-5-6-12-25/h3-4,7-8,16-17H,2,5-6,9-15H2,1H3
InChIKeyDQCSQRKIQAKBJK-UHFFFAOYSA-N
XLogP4.03
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethylquinolin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133402580
1-pyrrolidin-1-yl-2-(1-quinoxalin-2-ylpiperidin-4-yl)ethanone
CID 56815426
2-ethyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)quinoline
CID 133402710
tert-butyl N-[1-(2-ethylquinolin-4-yl)piperidin-4-yl]carbamate
CID 133400609
4-(2-ethylquinolin-4-yl)thiomorpholine
CID 133400472
1-[4-(4-ethylpiperidin-1-yl)quinolin-2-yl]-N-methylmethanamine
CID 63377701
N-[[1-(2-ethylquinolin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine
CID 133402615
N-[1-(2-ethylquinolin-4-yl)piperidin-4-yl]-2-methylfuran-3-carboxamide
CID 133401169
[4-(4-methylpiperidin-1-yl)quinolin-2-yl]methanamine
CID 63374155
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]quinoline-4-carbonitrile
CID 172901791
cyclobutanecarboxylic acid;2-methyl-4-pyrrolidin-1-ylquinoline
CID 158504598
[4-[3-(methoxymethyl)pyrrolidin-1-yl]quinolin-2-yl]methanol
CID 64598867

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethylquinolin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[1-(2-ethylquinolin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone (CID 133400414) is 2-[1-(2-ethylquinolin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[1-(2-ethylquinolin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[1-(2-ethylquinolin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone is CCc1cc(N2CCC(CC(=O)N3CCCC3)CC2)c2ccccc2n1.
What is the InChIKey of 2-[1-(2-ethylquinolin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is DQCSQRKIQAKBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-2-18-16-21(19-7-3-4-8-20(19)23-18)24-13-9-17(10-14-24)15-22(26)25-11-5-6-12-25/h3-4,7-8,16-17H,2,5-6,9-15H2,1H3.
What are the key properties of 2-[1-(2-ethylquinolin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone?
2-[1-(2-ethylquinolin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 351.49 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethylquinolin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 133400414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).