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

C20H27N3O — CID 119520643

IUPAC[4-(1-aminoethyl)piperidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCC(C(C)N)CC2)c2ccccc2n1
InChIInChI=1S/C20H27N3O/c1-13(2)19-12-17(16-6-4-5-7-18(16)22-19)20(24)23-10-8-15(9-11-23)14(3)21/h4-7,12-15H,8-11,21H2,1-3H3
InChIKeyHROZLVNOTYFONH-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.56
Rot. Bonds3

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

[4-(1-aminoethyl)piperidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone (PubChem CID 119520643) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is [4-(1-aminoethyl)piperidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[4-(1-aminoethyl)piperidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone
PubChem CID119520643
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name[4-(1-aminoethyl)piperidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCC(C(C)N)CC2)c2ccccc2n1
InChIInChI=1S/C20H27N3O/c1-13(2)19-12-17(16-6-4-5-7-18(16)22-19)20(24)23-10-8-15(9-11-23)14(3)21/h4-7,12-15H,8-11,21H2,1-3H3
InChIKeyHROZLVNOTYFONH-UHFFFAOYSA-N
XLogP3.56
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-propan-2-ylquinoline-4-carbonyl)piperidine-4-carboxylic acid
CID 154737644
[(3R)-3-aminopyrrolidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone;dihydrochloride
CID 119413204
1-(2-propan-2-ylquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 119355193
[4-(3-aminopropoxy)piperidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone
CID 119664455
[4-(1-aminoethyl)piperidin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 119519440
(2-propan-2-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 26737251
[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone
CID 55969204
[3-(methylamino)piperidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone;dihydrochloride
CID 119493389
(3S,4S)-4-methyl-1-(2-propan-2-ylquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 120952970
[4-(3-methylphenyl)piperazin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone
CID 26692426
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone;dihydrochloride
CID 120747193
[3-(1-aminoethyl)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 119595926

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone?
The IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone (CID 119520643) is [4-(1-aminoethyl)piperidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone.
What is the SMILES notation for [4-(1-aminoethyl)piperidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone?
The canonical SMILES for [4-(1-aminoethyl)piperidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone is CC(C)c1cc(C(=O)N2CCC(C(C)N)CC2)c2ccccc2n1.
What is the InChIKey of [4-(1-aminoethyl)piperidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone?
The InChIKey is HROZLVNOTYFONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-13(2)19-12-17(16-6-4-5-7-18(16)22-19)20(24)23-10-8-15(9-11-23)14(3)21/h4-7,12-15H,8-11,21H2,1-3H3.
What are the key properties of [4-(1-aminoethyl)piperidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone?
[4-(1-aminoethyl)piperidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone has a molecular weight of 325.46 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminoethyl)piperidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone is sourced from PubChem (CID 119520643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).