[4-(dimethylamino)-3-pyridinyl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

C16H21N5O2 — CID 136530737

IUPAC[4-(dimethylamino)-3-pyridinyl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCc1noc(C2CCN(C(=O)c3cnccc3N(C)C)CC2)n1
InChIInChI=1S/C16H21N5O2/c1-11-18-15(23-19-11)12-5-8-21(9-6-12)16(22)13-10-17-7-4-14(13)20(2)3/h4,7,10,12H,5-6,8-9H2,1-3H3
InChIKeyAIEUCFKDUKNYGW-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.86
Rot. Bonds3

About [4-(dimethylamino)-3-pyridinyl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

[4-(dimethylamino)-3-pyridinyl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (PubChem CID 136530737) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is [4-(dimethylamino)-3-pyridinyl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(dimethylamino)-3-pyridinyl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
PubChem CID136530737
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name[4-(dimethylamino)-3-pyridinyl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCc1noc(C2CCN(C(=O)c3cnccc3N(C)C)CC2)n1
InChIInChI=1S/C16H21N5O2/c1-11-18-15(23-19-11)12-5-8-21(9-6-12)16(22)13-10-17-7-4-14(13)20(2)3/h4,7,10,12H,5-6,8-9H2,1-3H3
InChIKeyAIEUCFKDUKNYGW-UHFFFAOYSA-N
XLogP1.86
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-aminophenyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 119944908
[4-(dimethylamino)-3-pyridinyl]-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methanone
CID 126785476
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(2-phenoxyphenyl)methanone
CID 47061076
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(3-methylpyrazin-2-yl)methanone
CID 136553357
(2,6-dimethylquinolin-3-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 55885034
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 47296940
[4-(dimethylamino)-3-pyridinyl]-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 86815233
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone
CID 136579646
(5-chlorothiophen-2-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 136577922
(6-methoxy-3-pyridinyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 154737928
(3-methoxy-1-methylpyrazol-4-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 155954051
(2-cyclopropylcyclopropyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 71923599

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-3-pyridinyl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of [4-(dimethylamino)-3-pyridinyl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (CID 136530737) is [4-(dimethylamino)-3-pyridinyl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-(dimethylamino)-3-pyridinyl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for [4-(dimethylamino)-3-pyridinyl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is Cc1noc(C2CCN(C(=O)c3cnccc3N(C)C)CC2)n1.
What is the InChIKey of [4-(dimethylamino)-3-pyridinyl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is AIEUCFKDUKNYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-11-18-15(23-19-11)12-5-8-21(9-6-12)16(22)13-10-17-7-4-14(13)20(2)3/h4,7,10,12H,5-6,8-9H2,1-3H3.
What are the key properties of [4-(dimethylamino)-3-pyridinyl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
[4-(dimethylamino)-3-pyridinyl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 315.38 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)-3-pyridinyl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 136530737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).