[4-(methoxymethyl)piperidin-1-yl]-[2-(propylamino)-3-pyridinyl]methanone

C16H25N3O2 — CID 63978079

IUPAC[4-(methoxymethyl)piperidin-1-yl]-[2-(propylamino)-3-pyridinyl]methanone
SMILESCCCNc1ncccc1C(=O)N1CCC(COC)CC1
InChIInChI=1S/C16H25N3O2/c1-3-8-17-15-14(5-4-9-18-15)16(20)19-10-6-13(7-11-19)12-21-2/h4-5,9,13H,3,6-8,10-12H2,1-2H3,(H,17,18)
InChIKeyDZHMUFBQWCVVMS-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.40
Rot. Bonds6

About [4-(methoxymethyl)piperidin-1-yl]-[2-(propylamino)-3-pyridinyl]methanone

[4-(methoxymethyl)piperidin-1-yl]-[2-(propylamino)-3-pyridinyl]methanone (PubChem CID 63978079) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is [4-(methoxymethyl)piperidin-1-yl]-[2-(propylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(methoxymethyl)piperidin-1-yl]-[2-(propylamino)-3-pyridinyl]methanone
PubChem CID63978079
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name[4-(methoxymethyl)piperidin-1-yl]-[2-(propylamino)-3-pyridinyl]methanone
SMILESCCCNc1ncccc1C(=O)N1CCC(COC)CC1
InChIInChI=1S/C16H25N3O2/c1-3-8-17-15-14(5-4-9-18-15)16(20)19-10-6-13(7-11-19)12-21-2/h4-5,9,13H,3,6-8,10-12H2,1-2H3,(H,17,18)
InChIKeyDZHMUFBQWCVVMS-UHFFFAOYSA-N
XLogP2.40
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methylpiperidin-1-yl)-[2-(propylamino)-3-pyridinyl]methanone
CID 62172051
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[2-(propylamino)-3-pyridinyl]methanone
CID 115561651
[2-(ethylamino)-3-pyridinyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112628604
(4-tert-butylpiperidin-1-yl)-[2-(ethylamino)-3-pyridinyl]methanone
CID 62181639
4-[2-(propylamino)pyridine-3-carbonyl]piperazine-2,6-dione
CID 66062042
(2-methylpiperidin-1-yl)-[2-(propylamino)-3-pyridinyl]methanone
CID 62172000
[4-(hydroxymethyl)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone
CID 62185539
(2-ethylmorpholin-4-yl)-[2-(propylamino)-3-pyridinyl]methanone
CID 62170255
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-(propylamino)-3-pyridinyl]methanone
CID 62171689
N-(cyclopentylmethyl)-2-(propylamino)pyridine-3-carboxamide
CID 62168476
(2-fluorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63977657
(2-iodophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63980357

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)piperidin-1-yl]-[2-(propylamino)-3-pyridinyl]methanone?
The IUPAC name of [4-(methoxymethyl)piperidin-1-yl]-[2-(propylamino)-3-pyridinyl]methanone (CID 63978079) is [4-(methoxymethyl)piperidin-1-yl]-[2-(propylamino)-3-pyridinyl]methanone.
What is the SMILES notation for [4-(methoxymethyl)piperidin-1-yl]-[2-(propylamino)-3-pyridinyl]methanone?
The canonical SMILES for [4-(methoxymethyl)piperidin-1-yl]-[2-(propylamino)-3-pyridinyl]methanone is CCCNc1ncccc1C(=O)N1CCC(COC)CC1.
What is the InChIKey of [4-(methoxymethyl)piperidin-1-yl]-[2-(propylamino)-3-pyridinyl]methanone?
The InChIKey is DZHMUFBQWCVVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-8-17-15-14(5-4-9-18-15)16(20)19-10-6-13(7-11-19)12-21-2/h4-5,9,13H,3,6-8,10-12H2,1-2H3,(H,17,18).
What are the key properties of [4-(methoxymethyl)piperidin-1-yl]-[2-(propylamino)-3-pyridinyl]methanone?
[4-(methoxymethyl)piperidin-1-yl]-[2-(propylamino)-3-pyridinyl]methanone has a molecular weight of 291.39 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)piperidin-1-yl]-[2-(propylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 63978079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).