1-[4-[(4-ethyl-2-pyridinyl)amino]piperidin-1-yl]-3-methylbutan-1-one;molecular hydrogen

C17H29N3O — CID 144655303

IUPAC1-[4-[(4-ethyl-2-pyridinyl)amino]piperidin-1-yl]-3-methylbutan-1-one;molecular hydrogen
SMILESCCc1ccnc(NC2CCN(C(=O)CC(C)C)CC2)c1.[H][H]
InChIInChI=1S/C17H27N3O.H2/c1-4-14-5-8-18-16(12-14)19-15-6-9-20(10-7-15)17(21)11-13(2)3;/h5,8,12-13,15H,4,6-7,9-11H2,1-3H3,(H,18,19);1H
InChIKeyZZFLCWDYRWBWKO-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.34
Rot. Bonds5

About 1-[4-[(4-ethyl-2-pyridinyl)amino]piperidin-1-yl]-3-methylbutan-1-one;molecular hydrogen

1-[4-[(4-ethyl-2-pyridinyl)amino]piperidin-1-yl]-3-methylbutan-1-one;molecular hydrogen (PubChem CID 144655303) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[4-[(4-ethyl-2-pyridinyl)amino]piperidin-1-yl]-3-methylbutan-1-one;molecular hydrogen.

Molecular Properties

Compound Name1-[4-[(4-ethyl-2-pyridinyl)amino]piperidin-1-yl]-3-methylbutan-1-one;molecular hydrogen
PubChem CID144655303
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name1-[4-[(4-ethyl-2-pyridinyl)amino]piperidin-1-yl]-3-methylbutan-1-one;molecular hydrogen
SMILESCCc1ccnc(NC2CCN(C(=O)CC(C)C)CC2)c1.[H][H]
InChIInChI=1S/C17H27N3O.H2/c1-4-14-5-8-18-16(12-14)19-15-6-9-20(10-7-15)17(21)11-13(2)3;/h5,8,12-13,15H,4,6-7,9-11H2,1-3H3,(H,18,19);1H
InChIKeyZZFLCWDYRWBWKO-UHFFFAOYSA-N
XLogP3.34
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclobutyl-[4-[(4-ethyl-2-pyridinyl)amino]piperidin-1-yl]methanone
CID 130267519
6-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]pyridine-2-carboxylic acid
CID 122053315
ethyl 4-[[4-[(dimethylamino)methyl]-2-pyridinyl]amino]piperidine-1-carboxylate
CID 154752830
1-[4-[(6-ethylpyrimidin-4-yl)amino]piperidin-1-yl]-3-sulfanylbutan-1-one
CID 170045595
1-[4-[(4-propan-2-yl-2-pyridinyl)amino]piperidin-1-yl]ethanone
CID 118929980
4-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyridin-2-amine
CID 118362521
1-[4-(3-chloroanilino)piperidin-1-yl]-3-methylbutan-1-one
CID 5030515
N-(4-ethyl-2-pyridinyl)cyclopropanecarboxamide
CID 89291693
1-(2-methoxypyrimidin-4-yl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea
CID 136540973
1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]butan-1-one
CID 90248807
6-[[1-(4-methyl-2-oxopentanoyl)piperidin-4-yl]amino]pyrimidine-4-carboxamide
CID 175892409
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]pyrimidine-4-carboxamide
CID 118553956

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-ethyl-2-pyridinyl)amino]piperidin-1-yl]-3-methylbutan-1-one;molecular hydrogen?
The IUPAC name of 1-[4-[(4-ethyl-2-pyridinyl)amino]piperidin-1-yl]-3-methylbutan-1-one;molecular hydrogen (CID 144655303) is 1-[4-[(4-ethyl-2-pyridinyl)amino]piperidin-1-yl]-3-methylbutan-1-one;molecular hydrogen.
What is the SMILES notation for 1-[4-[(4-ethyl-2-pyridinyl)amino]piperidin-1-yl]-3-methylbutan-1-one;molecular hydrogen?
The canonical SMILES for 1-[4-[(4-ethyl-2-pyridinyl)amino]piperidin-1-yl]-3-methylbutan-1-one;molecular hydrogen is CCc1ccnc(NC2CCN(C(=O)CC(C)C)CC2)c1.[H][H].
What is the InChIKey of 1-[4-[(4-ethyl-2-pyridinyl)amino]piperidin-1-yl]-3-methylbutan-1-one;molecular hydrogen?
The InChIKey is ZZFLCWDYRWBWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O.H2/c1-4-14-5-8-18-16(12-14)19-15-6-9-20(10-7-15)17(21)11-13(2)3;/h5,8,12-13,15H,4,6-7,9-11H2,1-3H3,(H,18,19);1H.
What are the key properties of 1-[4-[(4-ethyl-2-pyridinyl)amino]piperidin-1-yl]-3-methylbutan-1-one;molecular hydrogen?
1-[4-[(4-ethyl-2-pyridinyl)amino]piperidin-1-yl]-3-methylbutan-1-one;molecular hydrogen has a molecular weight of 291.44 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-ethyl-2-pyridinyl)amino]piperidin-1-yl]-3-methylbutan-1-one;molecular hydrogen is sourced from PubChem (CID 144655303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).