1-[4-(cyclobutylamino)piperidin-1-yl]-2-quinolin-6-ylethanone

C20H25N3O — CID 154867921

IUPAC1-[4-(cyclobutylamino)piperidin-1-yl]-2-quinolin-6-ylethanone
SMILESO=C(Cc1ccc2ncccc2c1)N1CCC(NC2CCC2)CC1
InChIInChI=1S/C20H25N3O/c24-20(14-15-6-7-19-16(13-15)3-2-10-21-19)23-11-8-18(9-12-23)22-17-4-1-5-17/h2-3,6-7,10,13,17-18,22H,1,4-5,8-9,11-12,14H2
InChIKeyZTTYLSMCBOFWBY-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.91
Rot. Bonds4

About 1-[4-(cyclobutylamino)piperidin-1-yl]-2-quinolin-6-ylethanone

1-[4-(cyclobutylamino)piperidin-1-yl]-2-quinolin-6-ylethanone (PubChem CID 154867921) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-[4-(cyclobutylamino)piperidin-1-yl]-2-quinolin-6-ylethanone.

Molecular Properties

Compound Name1-[4-(cyclobutylamino)piperidin-1-yl]-2-quinolin-6-ylethanone
PubChem CID154867921
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name1-[4-(cyclobutylamino)piperidin-1-yl]-2-quinolin-6-ylethanone
SMILESO=C(Cc1ccc2ncccc2c1)N1CCC(NC2CCC2)CC1
InChIInChI=1S/C20H25N3O/c24-20(14-15-6-7-19-16(13-15)3-2-10-21-19)23-11-8-18(9-12-23)22-17-4-1-5-17/h2-3,6-7,10,13,17-18,22H,1,4-5,8-9,11-12,14H2
InChIKeyZTTYLSMCBOFWBY-UHFFFAOYSA-N
XLogP2.91
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(cyclobutylamino)piperidin-1-yl]-2-quinolin-6-ylethanone with MolForge

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Related Compounds

2-[2-[[1-(2-quinolin-6-ylacetyl)piperidin-4-yl]amino]phenyl]acetamide
CID 175872549
1-[4-(2-nitroanilino)piperidin-1-yl]-2-quinolin-6-ylethanone
CID 155234146
1-[4-[2-amino-6-(trifluoromethyl)anilino]piperidin-1-yl]-2-quinolin-6-ylethanone
CID 155234309
1-[3-(3-chlorophenyl)azetidin-1-yl]-2-quinolin-6-ylethanone
CID 167832627
2-quinolin-6-yl-1-[4-[7-(trifluoromethyl)-2,3-dihydrobenzimidazol-1-yl]piperidin-1-yl]ethanone
CID 155672294
N-[1-[1-(2-quinolin-6-ylacetyl)piperidin-4-yl]-7-(trifluoromethyl)benzimidazol-2-yl]acetamide
CID 155248372
[4-(cyclopropylmethylamino)piperidin-1-yl]-quinolin-6-ylmethanone
CID 119624681
2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N-quinolin-6-yl-1,3-thiazole-4-carboxamide
CID 4999345
1-(4-methylpiperidin-1-yl)-2-quinolin-6-yloxyethanone
CID 112978586
1-pyrrolidin-1-yl-3-[1-(quinoline-6-carbonyl)piperidin-4-yl]propan-1-one
CID 42531267
1-[(3S,4R)-3-ethyl-4-(quinolin-6-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 97026960
1-[(3R,4R)-3-ethyl-4-(quinolin-6-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 97026959

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclobutylamino)piperidin-1-yl]-2-quinolin-6-ylethanone?
The IUPAC name of 1-[4-(cyclobutylamino)piperidin-1-yl]-2-quinolin-6-ylethanone (CID 154867921) is 1-[4-(cyclobutylamino)piperidin-1-yl]-2-quinolin-6-ylethanone.
What is the SMILES notation for 1-[4-(cyclobutylamino)piperidin-1-yl]-2-quinolin-6-ylethanone?
The canonical SMILES for 1-[4-(cyclobutylamino)piperidin-1-yl]-2-quinolin-6-ylethanone is O=C(Cc1ccc2ncccc2c1)N1CCC(NC2CCC2)CC1.
What is the InChIKey of 1-[4-(cyclobutylamino)piperidin-1-yl]-2-quinolin-6-ylethanone?
The InChIKey is ZTTYLSMCBOFWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c24-20(14-15-6-7-19-16(13-15)3-2-10-21-19)23-11-8-18(9-12-23)22-17-4-1-5-17/h2-3,6-7,10,13,17-18,22H,1,4-5,8-9,11-12,14H2.
What are the key properties of 1-[4-(cyclobutylamino)piperidin-1-yl]-2-quinolin-6-ylethanone?
1-[4-(cyclobutylamino)piperidin-1-yl]-2-quinolin-6-ylethanone has a molecular weight of 323.44 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclobutylamino)piperidin-1-yl]-2-quinolin-6-ylethanone is sourced from PubChem (CID 154867921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).