cyclobutyl-[4-[(4-ethyl-2-pyridinyl)amino]piperidin-1-yl]methanone

C17H25N3O — CID 130267519

IUPACcyclobutyl-[4-[(4-ethyl-2-pyridinyl)amino]piperidin-1-yl]methanone
SMILESCCc1ccnc(NC2CCN(C(=O)C3CCC3)CC2)c1
InChIInChI=1S/C17H25N3O/c1-2-13-6-9-18-16(12-13)19-15-7-10-20(11-8-15)17(21)14-4-3-5-14/h6,9,12,14-15H,2-5,7-8,10-11H2,1H3,(H,18,19)
InChIKeyOCLXEJLXGNNOQT-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.85
Rot. Bonds4

About cyclobutyl-[4-[(4-ethyl-2-pyridinyl)amino]piperidin-1-yl]methanone

cyclobutyl-[4-[(4-ethyl-2-pyridinyl)amino]piperidin-1-yl]methanone (PubChem CID 130267519) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is cyclobutyl-[4-[(4-ethyl-2-pyridinyl)amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-[(4-ethyl-2-pyridinyl)amino]piperidin-1-yl]methanone
PubChem CID130267519
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Namecyclobutyl-[4-[(4-ethyl-2-pyridinyl)amino]piperidin-1-yl]methanone
SMILESCCc1ccnc(NC2CCN(C(=O)C3CCC3)CC2)c1
InChIInChI=1S/C17H25N3O/c1-2-13-6-9-18-16(12-13)19-15-7-10-20(11-8-15)17(21)14-4-3-5-14/h6,9,12,14-15H,2-5,7-8,10-11H2,1H3,(H,18,19)
InChIKeyOCLXEJLXGNNOQT-UHFFFAOYSA-N
XLogP2.85
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(4-ethyl-2-pyridinyl)amino]piperidin-1-yl]-3-methylbutan-1-one;molecular hydrogen
CID 144655303
ethyl 4-[[4-[(dimethylamino)methyl]-2-pyridinyl]amino]piperidine-1-carboxylate
CID 154752830
N-(4-ethyl-2-pyridinyl)cyclopropanecarboxamide
CID 89291693
cyclopropyl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone
CID 126887079
4-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyridin-2-amine
CID 118362521
[4-[(2-chloro-4-pyridinyl)amino]piperidin-1-yl]-cyclohexylmethanone
CID 133373916
[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(oxan-4-yl)methanone
CID 126887514
[4-[(5-amino-2-pyridinyl)amino]piperidin-1-yl]-cyclopropylmethanone
CID 68722687
2-[[1-(cyclobutanecarbonyl)piperidin-4-yl]amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide
CID 123405582
1-[4-[(4-propan-2-yl-2-pyridinyl)amino]piperidin-1-yl]ethanone
CID 118929980
cyclopropyl-[(3R)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]methanone
CID 175863488
4-[(4-methoxy-2-pyridinyl)amino]piperidine-1-carboxylic acid
CID 139925030

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-[(4-ethyl-2-pyridinyl)amino]piperidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-[(4-ethyl-2-pyridinyl)amino]piperidin-1-yl]methanone (CID 130267519) is cyclobutyl-[4-[(4-ethyl-2-pyridinyl)amino]piperidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-[(4-ethyl-2-pyridinyl)amino]piperidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-[(4-ethyl-2-pyridinyl)amino]piperidin-1-yl]methanone is CCc1ccnc(NC2CCN(C(=O)C3CCC3)CC2)c1.
What is the InChIKey of cyclobutyl-[4-[(4-ethyl-2-pyridinyl)amino]piperidin-1-yl]methanone?
The InChIKey is OCLXEJLXGNNOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-2-13-6-9-18-16(12-13)19-15-7-10-20(11-8-15)17(21)14-4-3-5-14/h6,9,12,14-15H,2-5,7-8,10-11H2,1H3,(H,18,19).
What are the key properties of cyclobutyl-[4-[(4-ethyl-2-pyridinyl)amino]piperidin-1-yl]methanone?
cyclobutyl-[4-[(4-ethyl-2-pyridinyl)amino]piperidin-1-yl]methanone has a molecular weight of 287.41 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-[(4-ethyl-2-pyridinyl)amino]piperidin-1-yl]methanone is sourced from PubChem (CID 130267519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).