2-piperidin-4-yl-N-(2-quinolin-8-ylethyl)acetamide;dihydrochloride

C18H25Cl2N3O — CID 119840582

IUPAC2-piperidin-4-yl-N-(2-quinolin-8-ylethyl)acetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CCNCC1)NCCc1cccc2cccnc12
InChIInChI=1S/C18H23N3O.2ClH/c22-17(13-14-6-10-19-11-7-14)20-12-8-16-4-1-3-15-5-2-9-21-18(15)16;;/h1-5,9,14,19H,6-8,10-13H2,(H,20,22);2*1H
InChIKeyIRRXSNDTLBKVLL-UHFFFAOYSA-N
MW370.32 g/mol
LogP3.13
Rot. Bonds5

About 2-piperidin-4-yl-N-(2-quinolin-8-ylethyl)acetamide;dihydrochloride

2-piperidin-4-yl-N-(2-quinolin-8-ylethyl)acetamide;dihydrochloride (PubChem CID 119840582) has the molecular formula C18H25Cl2N3O and a molecular weight of 370.32 g/mol. Its IUPAC name is 2-piperidin-4-yl-N-(2-quinolin-8-ylethyl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-piperidin-4-yl-N-(2-quinolin-8-ylethyl)acetamide;dihydrochloride
PubChem CID119840582
Molecular FormulaC18H25Cl2N3O
Molecular Weight370.32 g/mol
Exact Mass369.14
IUPAC Name2-piperidin-4-yl-N-(2-quinolin-8-ylethyl)acetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CCNCC1)NCCc1cccc2cccnc12
InChIInChI=1S/C18H23N3O.2ClH/c22-17(13-14-6-10-19-11-7-14)20-12-8-16-4-1-3-15-5-2-9-21-18(15)16;;/h1-5,9,14,19H,6-8,10-13H2,(H,20,22);2*1H
InChIKeyIRRXSNDTLBKVLL-UHFFFAOYSA-N
XLogP3.13
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-oxo-2-(2-quinolin-8-ylethylamino)ethoxy]-N-(2-quinolin-8-ylethyl)acetamide
CID 78847250
N-(2-quinolin-8-ylethyl)piperidine-3-carboxamide
CID 78982428
(2S)-N-(2-quinolin-8-ylethyl)pyrrolidine-2-carboxamide
CID 81428574
3-chloro-N-(2-quinolin-8-ylethyl)propanamide
CID 81427870
N-(2-quinolin-8-ylethyl)cyclohexanecarboxamide
CID 18149258
2-(4-fluorophenoxy)-N-(2-quinolin-8-ylethyl)acetamide
CID 18149228
2-[2-(difluoromethyl)piperazin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide
CID 138045334
2-naphthalen-2-yl-N-(2-quinolin-8-ylethyl)acetamide
CID 51112165
methyl N-(2-quinolin-8-ylethyl)carbamate
CID 115577084
2-(4-methylcyclohexylidene)-N-(2-quinolin-8-ylethyl)acetamide
CID 86952686
4-(cyclohexylcarbamoylamino)-N-(2-quinolin-8-ylethyl)butanamide
CID 18153096
2-piperidin-4-yl-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 63240285

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-N-(2-quinolin-8-ylethyl)acetamide;dihydrochloride?
The IUPAC name of 2-piperidin-4-yl-N-(2-quinolin-8-ylethyl)acetamide;dihydrochloride (CID 119840582) is 2-piperidin-4-yl-N-(2-quinolin-8-ylethyl)acetamide;dihydrochloride.
What is the SMILES notation for 2-piperidin-4-yl-N-(2-quinolin-8-ylethyl)acetamide;dihydrochloride?
The canonical SMILES for 2-piperidin-4-yl-N-(2-quinolin-8-ylethyl)acetamide;dihydrochloride is Cl.Cl.O=C(CC1CCNCC1)NCCc1cccc2cccnc12.
What is the InChIKey of 2-piperidin-4-yl-N-(2-quinolin-8-ylethyl)acetamide;dihydrochloride?
The InChIKey is IRRXSNDTLBKVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O.2ClH/c22-17(13-14-6-10-19-11-7-14)20-12-8-16-4-1-3-15-5-2-9-21-18(15)16;;/h1-5,9,14,19H,6-8,10-13H2,(H,20,22);2*1H.
What are the key properties of 2-piperidin-4-yl-N-(2-quinolin-8-ylethyl)acetamide;dihydrochloride?
2-piperidin-4-yl-N-(2-quinolin-8-ylethyl)acetamide;dihydrochloride has a molecular weight of 370.32 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-N-(2-quinolin-8-ylethyl)acetamide;dihydrochloride is sourced from PubChem (CID 119840582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).