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

C20H25N3O — CID 119435832

IUPAC[2-(1-aminoethyl)piperidin-1-yl]-(2-cyclopropylquinolin-4-yl)methanone
SMILESCC(N)C1CCCCN1C(=O)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C20H25N3O/c1-13(21)19-8-4-5-11-23(19)20(24)16-12-18(14-9-10-14)22-17-7-3-2-6-15(16)17/h2-3,6-7,12-14,19H,4-5,8-11,21H2,1H3
InChIKeyZKUOPUQMPZCLAZ-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.45
Rot. Bonds3

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

[2-(1-aminoethyl)piperidin-1-yl]-(2-cyclopropylquinolin-4-yl)methanone (PubChem CID 119435832) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is [2-(1-aminoethyl)piperidin-1-yl]-(2-cyclopropylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[2-(1-aminoethyl)piperidin-1-yl]-(2-cyclopropylquinolin-4-yl)methanone
PubChem CID119435832
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name[2-(1-aminoethyl)piperidin-1-yl]-(2-cyclopropylquinolin-4-yl)methanone
SMILESCC(N)C1CCCCN1C(=O)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C20H25N3O/c1-13(21)19-8-4-5-11-23(19)20(24)16-12-18(14-9-10-14)22-17-7-3-2-6-15(16)17/h2-3,6-7,12-14,19H,4-5,8-11,21H2,1H3
InChIKeyZKUOPUQMPZCLAZ-UHFFFAOYSA-N
XLogP3.45
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(1-aminoethyl)piperidin-1-yl]-[2-(furan-2-yl)quinolin-4-yl]methanone
CID 119436975
[2-(aminomethyl)pyrrolidin-1-yl]-(2-cyclopropylquinolin-4-yl)methanone;dihydrochloride
CID 119632453
[2-(1-aminoethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone
CID 63254989
1-[(4aR,8aR)-1-(2-cyclopropylquinoline-4-carbonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-methylpropan-1-one
CID 56854851
[2-(1-aminoethyl)piperidin-1-yl]-(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride
CID 119436695
[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-cyclopropylquinoline-4-carboxylate
CID 8944516
(3R,6S)-1-(2-cyclopropylquinoline-4-carbonyl)-6-methylpiperidine-3-carboxamide
CID 95161082
[2-(1-aminoethyl)piperidin-1-yl]-(2-iodophenyl)methanone
CID 55168583
(2R)-1-(2-cyclopropyl-6-methylquinoline-4-carbonyl)piperidine-2-carboxylic acid
CID 120537401
(4-aminopiperidin-1-yl)-(2-cyclopropylquinolin-4-yl)methanone;dihydrochloride
CID 119374525
(2-cyclopropylquinolin-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78794847
[2-(1-aminoethyl)piperidin-1-yl]-(2-iodophenyl)methanone;hydrochloride
CID 119435517

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(2-cyclopropylquinolin-4-yl)methanone?
The IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(2-cyclopropylquinolin-4-yl)methanone (CID 119435832) is [2-(1-aminoethyl)piperidin-1-yl]-(2-cyclopropylquinolin-4-yl)methanone.
What is the SMILES notation for [2-(1-aminoethyl)piperidin-1-yl]-(2-cyclopropylquinolin-4-yl)methanone?
The canonical SMILES for [2-(1-aminoethyl)piperidin-1-yl]-(2-cyclopropylquinolin-4-yl)methanone is CC(N)C1CCCCN1C(=O)c1cc(C2CC2)nc2ccccc12.
What is the InChIKey of [2-(1-aminoethyl)piperidin-1-yl]-(2-cyclopropylquinolin-4-yl)methanone?
The InChIKey is ZKUOPUQMPZCLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-13(21)19-8-4-5-11-23(19)20(24)16-12-18(14-9-10-14)22-17-7-3-2-6-15(16)17/h2-3,6-7,12-14,19H,4-5,8-11,21H2,1H3.
What are the key properties of [2-(1-aminoethyl)piperidin-1-yl]-(2-cyclopropylquinolin-4-yl)methanone?
[2-(1-aminoethyl)piperidin-1-yl]-(2-cyclopropylquinolin-4-yl)methanone has a molecular weight of 323.44 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)piperidin-1-yl]-(2-cyclopropylquinolin-4-yl)methanone is sourced from PubChem (CID 119435832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).