[3-(2-aminoethyl)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone

C18H23N3O — CID 120727676

IUPAC[3-(2-aminoethyl)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCCC(CCN)C2)c2ccccc2n1
InChIInChI=1S/C18H23N3O/c1-13-11-16(15-6-2-3-7-17(15)20-13)18(22)21-10-4-5-14(12-21)8-9-19/h2-3,6-7,11,14H,4-5,8-10,12,19H2,1H3
InChIKeyZSWGDSDSHADUMA-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.74
Rot. Bonds3

About [3-(2-aminoethyl)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone

[3-(2-aminoethyl)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone (PubChem CID 120727676) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is [3-(2-aminoethyl)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[3-(2-aminoethyl)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone
PubChem CID120727676
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name[3-(2-aminoethyl)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCCC(CCN)C2)c2ccccc2n1
InChIInChI=1S/C18H23N3O/c1-13-11-16(15-6-2-3-7-17(15)20-13)18(22)21-10-4-5-14(12-21)8-9-19/h2-3,6-7,11,14H,4-5,8-10,12,19H2,1H3
InChIKeyZSWGDSDSHADUMA-UHFFFAOYSA-N
XLogP2.74
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(2-aminoethyl)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone with MolForge

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 119412550
[(3S)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 119934500
[3-(1-aminoethyl)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 119595926
(3,5-dimethylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 51161951
(6-chloro-2-methylquinolin-4-yl)-[(3R)-3-(3-methoxypropyl)piperidin-1-yl]methanone
CID 97138571
(4-amino-3-methylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 119592520
[(3R)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 42522862
(6-bromo-2-methylquinolin-4-yl)-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone
CID 124684515
(3-hydroxyazetidin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 63105082
[(3R)-3-aminopiperidin-1-yl]-(6-bromo-2-methylquinolin-4-yl)methanone
CID 124593306
[4-(3-aminopropoxy)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 119664011
1-(2-methylquinoline-4-carbonyl)piperidine-4-carboxylic acid
CID 24698090

Frequently Asked Questions

What is the IUPAC name of [3-(2-aminoethyl)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone?
The IUPAC name of [3-(2-aminoethyl)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone (CID 120727676) is [3-(2-aminoethyl)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone.
What is the SMILES notation for [3-(2-aminoethyl)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone?
The canonical SMILES for [3-(2-aminoethyl)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone is Cc1cc(C(=O)N2CCCC(CCN)C2)c2ccccc2n1.
What is the InChIKey of [3-(2-aminoethyl)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone?
The InChIKey is ZSWGDSDSHADUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-13-11-16(15-6-2-3-7-17(15)20-13)18(22)21-10-4-5-14(12-21)8-9-19/h2-3,6-7,11,14H,4-5,8-10,12,19H2,1H3.
What are the key properties of [3-(2-aminoethyl)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone?
[3-(2-aminoethyl)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone has a molecular weight of 297.40 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminoethyl)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone is sourced from PubChem (CID 120727676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).