2-[1-(7-aminoquinolin-4-yl)piperidin-4-yl]acetamide

C16H20N4O — CID 103000800

IUPAC2-[1-(7-aminoquinolin-4-yl)piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(c2ccnc3cc(N)ccc23)CC1
InChIInChI=1S/C16H20N4O/c17-12-1-2-13-14(10-12)19-6-3-15(13)20-7-4-11(5-8-20)9-16(18)21/h1-3,6,10-11H,4-5,7-9,17H2,(H2,18,21)
InChIKeyYBKJPRHEAYZPOK-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.91
Rot. Bonds3

About 2-[1-(7-aminoquinolin-4-yl)piperidin-4-yl]acetamide

2-[1-(7-aminoquinolin-4-yl)piperidin-4-yl]acetamide (PubChem CID 103000800) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[1-(7-aminoquinolin-4-yl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-(7-aminoquinolin-4-yl)piperidin-4-yl]acetamide
PubChem CID103000800
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-[1-(7-aminoquinolin-4-yl)piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(c2ccnc3cc(N)ccc23)CC1
InChIInChI=1S/C16H20N4O/c17-12-1-2-13-14(10-12)19-6-3-15(13)20-7-4-11(5-8-20)9-16(18)21/h1-3,6,10-11H,4-5,7-9,17H2,(H2,18,21)
InChIKeyYBKJPRHEAYZPOK-UHFFFAOYSA-N
XLogP1.91
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-propylpyrrolidin-1-yl)quinolin-7-amine
CID 103001744
4-(4-propan-2-ylpiperidin-1-yl)quinolin-7-amine
CID 103505187
2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]acetic acid
CID 121318145
4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 81243873
4-[4-(hydroxymethyl)piperidin-1-yl]quinoline-6-carboxylic acid
CID 66978033
2-(7-aminoquinolin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 103001686
2-(7-aminoquinolin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 103001618
2-[1-(2-amino-4-chlorophenyl)piperidin-4-yl]acetamide
CID 54989164
2-[1-(2-hydrazinylpyrimidin-4-yl)piperidin-4-yl]acetamide
CID 80904290
1-(7-aminoquinolin-4-yl)-N-methylpyrrolidine-2-carboxamide
CID 103000781
N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]acetamide
CID 49431104
2-[1-(5-amino-3-bromo-2-pyridinyl)piperidin-4-yl]acetamide
CID 79532624

Frequently Asked Questions

What is the IUPAC name of 2-[1-(7-aminoquinolin-4-yl)piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-(7-aminoquinolin-4-yl)piperidin-4-yl]acetamide (CID 103000800) is 2-[1-(7-aminoquinolin-4-yl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-(7-aminoquinolin-4-yl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-(7-aminoquinolin-4-yl)piperidin-4-yl]acetamide is NC(=O)CC1CCN(c2ccnc3cc(N)ccc23)CC1.
What is the InChIKey of 2-[1-(7-aminoquinolin-4-yl)piperidin-4-yl]acetamide?
The InChIKey is YBKJPRHEAYZPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c17-12-1-2-13-14(10-12)19-6-3-15(13)20-7-4-11(5-8-20)9-16(18)21/h1-3,6,10-11H,4-5,7-9,17H2,(H2,18,21).
What are the key properties of 2-[1-(7-aminoquinolin-4-yl)piperidin-4-yl]acetamide?
2-[1-(7-aminoquinolin-4-yl)piperidin-4-yl]acetamide has a molecular weight of 284.36 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(7-aminoquinolin-4-yl)piperidin-4-yl]acetamide is sourced from PubChem (CID 103000800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).