1-[3-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone

C16H25N3O — CID 110269115

IUPAC1-[3-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(CCc2ccnc(N(C)C)c2)C1
InChIInChI=1S/C16H25N3O/c1-13(20)19-10-4-5-15(12-19)7-6-14-8-9-17-16(11-14)18(2)3/h8-9,11,15H,4-7,10,12H2,1-3H3
InChIKeyYPQYMJBNPQZQJW-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.34
Rot. Bonds4

About 1-[3-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone

1-[3-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone (PubChem CID 110269115) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-[3-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone
PubChem CID110269115
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-[3-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(CCc2ccnc(N(C)C)c2)C1
InChIInChI=1S/C16H25N3O/c1-13(20)19-10-4-5-15(12-19)7-6-14-8-9-17-16(11-14)18(2)3/h8-9,11,15H,4-7,10,12H2,1-3H3
InChIKeyYPQYMJBNPQZQJW-UHFFFAOYSA-N
XLogP2.34
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-acetamido-N-[[2-(dimethylamino)-4-pyridinyl]methyl]piperidine-1-carboxamide
CID 97098486
4-[(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-4-oxobutanoic acid
CID 124992467
[(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone
CID 124950403
[2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 110114030
[(2S)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 125027294
2-cyclopropyl-1-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]ethanone
CID 125005497
1-[4-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 26401825
[(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(1,3-thiazol-5-yl)methanone
CID 125009167
[(2S)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(3-ethyl-1,2-oxazol-5-yl)methanone
CID 125002202
1-[4-[(2S)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 125005812
1-[(3R)-3-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 124998664
2-(methylamino)-1-[(3R)-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone
CID 95842851

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone (CID 110269115) is 1-[3-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone is CC(=O)N1CCCC(CCc2ccnc(N(C)C)c2)C1.
What is the InChIKey of 1-[3-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone?
The InChIKey is YPQYMJBNPQZQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-13(20)19-10-4-5-15(12-19)7-6-14-8-9-17-16(11-14)18(2)3/h8-9,11,15H,4-7,10,12H2,1-3H3.
What are the key properties of 1-[3-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone?
1-[3-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone has a molecular weight of 275.40 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110269115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).