(5-amino-3,4-dihydro-2H-quinolin-1-yl)-piperidin-1-ylmethanone

C15H21N3O — CID 82761808

IUPAC(5-amino-3,4-dihydro-2H-quinolin-1-yl)-piperidin-1-ylmethanone
SMILESNc1cccc2c1CCCN2C(=O)N1CCCCC1
InChIInChI=1S/C15H21N3O/c16-13-7-4-8-14-12(13)6-5-11-18(14)15(19)17-9-2-1-3-10-17/h4,7-8H,1-3,5-6,9-11,16H2
InChIKeyLAJVWFTYVMSVPR-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.63
Rot. Bonds

About (5-amino-3,4-dihydro-2H-quinolin-1-yl)-piperidin-1-ylmethanone

(5-amino-3,4-dihydro-2H-quinolin-1-yl)-piperidin-1-ylmethanone (PubChem CID 82761808) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is (5-amino-3,4-dihydro-2H-quinolin-1-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(5-amino-3,4-dihydro-2H-quinolin-1-yl)-piperidin-1-ylmethanone
PubChem CID82761808
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name(5-amino-3,4-dihydro-2H-quinolin-1-yl)-piperidin-1-ylmethanone
SMILESNc1cccc2c1CCCN2C(=O)N1CCCCC1
InChIInChI=1S/C15H21N3O/c16-13-7-4-8-14-12(13)6-5-11-18(14)15(19)17-9-2-1-3-10-17/h4,7-8H,1-3,5-6,9-11,16H2
InChIKeyLAJVWFTYVMSVPR-UHFFFAOYSA-N
XLogP2.63
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(4-amino-2,3-dihydroindol-1-yl)-(azepan-1-yl)methanone
CID 79152622
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclopentylmethanone
CID 82707476
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(1-methylcyclohexyl)methanone
CID 106828103
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,6-dichlorophenyl)methanone
CID 82744828
1-[2-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrrolidin-2-one
CID 82705126
1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-cyclohexylethanone
CID 82707005
5-amino-N-cyclobutyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 116658696
1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methoxypropan-1-one
CID 112706569
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(furan-3-yl)methanone
CID 82704663
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 82706528
(7-amino-2,3-dihydroindol-1-yl)-pyrrolidin-1-ylmethanone
CID 114455948
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-iodophenyl)methanone
CID 82705307

Frequently Asked Questions

What is the IUPAC name of (5-amino-3,4-dihydro-2H-quinolin-1-yl)-piperidin-1-ylmethanone?
The IUPAC name of (5-amino-3,4-dihydro-2H-quinolin-1-yl)-piperidin-1-ylmethanone (CID 82761808) is (5-amino-3,4-dihydro-2H-quinolin-1-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (5-amino-3,4-dihydro-2H-quinolin-1-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (5-amino-3,4-dihydro-2H-quinolin-1-yl)-piperidin-1-ylmethanone is Nc1cccc2c1CCCN2C(=O)N1CCCCC1.
What is the InChIKey of (5-amino-3,4-dihydro-2H-quinolin-1-yl)-piperidin-1-ylmethanone?
The InChIKey is LAJVWFTYVMSVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c16-13-7-4-8-14-12(13)6-5-11-18(14)15(19)17-9-2-1-3-10-17/h4,7-8H,1-3,5-6,9-11,16H2.
What are the key properties of (5-amino-3,4-dihydro-2H-quinolin-1-yl)-piperidin-1-ylmethanone?
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-piperidin-1-ylmethanone has a molecular weight of 259.35 g/mol, XLogP of 2.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3,4-dihydro-2H-quinolin-1-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 82761808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).