[2-[methyl(oxolan-2-ylmethyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone

C17H25N3O2 — CID 131942429

IUPAC[2-[methyl(oxolan-2-ylmethyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCN(CC1CCCO1)c1ncccc1C(=O)N1CCCCC1
InChIInChI=1S/C17H25N3O2/c1-19(13-14-7-6-12-22-14)16-15(8-5-9-18-16)17(21)20-10-3-2-4-11-20/h5,8-9,14H,2-4,6-7,10-13H2,1H3
InChIKeyOGEXJVMOICAEOO-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.32
Rot. Bonds4

About [2-[methyl(oxolan-2-ylmethyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone

[2-[methyl(oxolan-2-ylmethyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 131942429) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is [2-[methyl(oxolan-2-ylmethyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[methyl(oxolan-2-ylmethyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID131942429
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name[2-[methyl(oxolan-2-ylmethyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCN(CC1CCCO1)c1ncccc1C(=O)N1CCCCC1
InChIInChI=1S/C17H25N3O2/c1-19(13-14-7-6-12-22-14)16-15(8-5-9-18-16)17(21)20-10-3-2-4-11-20/h5,8-9,14H,2-4,6-7,10-13H2,1H3
InChIKeyOGEXJVMOICAEOO-UHFFFAOYSA-N
XLogP2.32
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-cyclopropylethyl(methyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133398555
N'-hydroxy-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboximidamide
CID 61432324
(1S)-1-[2-[methyl(oxolan-2-ylmethyl)amino]-3-pyridinyl]ethanol
CID 114055895
1-methyl-3-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 95280116
[2-[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 134697352
2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 61222214
4-[methyl(oxolan-2-ylmethyl)amino]quinazoline-2-carboxylic acid
CID 63868694
[2-[cyclohexyl(methyl)amino]-3-pyridinyl]-[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 95716026
[5-[methyl(oxan-2-ylmethyl)amino]-2-nitrophenyl]-pyrrolidin-1-ylmethanone
CID 133271715
[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 51927276
[2-(dimethylamino)-3-pyridinyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110311478
N-(oxolan-2-ylmethyl)-2-piperidin-1-ylpyridine-3-carboxamide
CID 3192318

Frequently Asked Questions

What is the IUPAC name of [2-[methyl(oxolan-2-ylmethyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [2-[methyl(oxolan-2-ylmethyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone (CID 131942429) is [2-[methyl(oxolan-2-ylmethyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-[methyl(oxolan-2-ylmethyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-[methyl(oxolan-2-ylmethyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone is CN(CC1CCCO1)c1ncccc1C(=O)N1CCCCC1.
What is the InChIKey of [2-[methyl(oxolan-2-ylmethyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is OGEXJVMOICAEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-19(13-14-7-6-12-22-14)16-15(8-5-9-18-16)17(21)20-10-3-2-4-11-20/h5,8-9,14H,2-4,6-7,10-13H2,1H3.
What are the key properties of [2-[methyl(oxolan-2-ylmethyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone?
[2-[methyl(oxolan-2-ylmethyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 303.41 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(oxolan-2-ylmethyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 131942429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).