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

C16H25N3O2 — CID 106588798

IUPAC[3-(methoxymethyl)piperidin-1-yl]-[4-(propylamino)-2-pyridinyl]methanone
SMILESCCCNc1ccnc(C(=O)N2CCCC(COC)C2)c1
InChIInChI=1S/C16H25N3O2/c1-3-7-17-14-6-8-18-15(10-14)16(20)19-9-4-5-13(11-19)12-21-2/h6,8,10,13H,3-5,7,9,11-12H2,1-2H3,(H,17,18)
InChIKeyDDSXTILRONYJAB-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.40
Rot. Bonds6

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

[3-(methoxymethyl)piperidin-1-yl]-[4-(propylamino)-2-pyridinyl]methanone (PubChem CID 106588798) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is [3-(methoxymethyl)piperidin-1-yl]-[4-(propylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[3-(methoxymethyl)piperidin-1-yl]-[4-(propylamino)-2-pyridinyl]methanone
PubChem CID106588798
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name[3-(methoxymethyl)piperidin-1-yl]-[4-(propylamino)-2-pyridinyl]methanone
SMILESCCCNc1ccnc(C(=O)N2CCCC(COC)C2)c1
InChIInChI=1S/C16H25N3O2/c1-3-7-17-14-6-8-18-15(10-14)16(20)19-9-4-5-13(11-19)12-21-2/h6,8,10,13H,3-5,7,9,11-12H2,1-2H3,(H,17,18)
InChIKeyDDSXTILRONYJAB-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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Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethyl)piperidin-1-yl]-[4-(propylamino)-2-pyridinyl]methanone?
The IUPAC name of [3-(methoxymethyl)piperidin-1-yl]-[4-(propylamino)-2-pyridinyl]methanone (CID 106588798) is [3-(methoxymethyl)piperidin-1-yl]-[4-(propylamino)-2-pyridinyl]methanone.
What is the SMILES notation for [3-(methoxymethyl)piperidin-1-yl]-[4-(propylamino)-2-pyridinyl]methanone?
The canonical SMILES for [3-(methoxymethyl)piperidin-1-yl]-[4-(propylamino)-2-pyridinyl]methanone is CCCNc1ccnc(C(=O)N2CCCC(COC)C2)c1.
What is the InChIKey of [3-(methoxymethyl)piperidin-1-yl]-[4-(propylamino)-2-pyridinyl]methanone?
The InChIKey is DDSXTILRONYJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-7-17-14-6-8-18-15(10-14)16(20)19-9-4-5-13(11-19)12-21-2/h6,8,10,13H,3-5,7,9,11-12H2,1-2H3,(H,17,18).
What are the key properties of [3-(methoxymethyl)piperidin-1-yl]-[4-(propylamino)-2-pyridinyl]methanone?
[3-(methoxymethyl)piperidin-1-yl]-[4-(propylamino)-2-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 [3-(methoxymethyl)piperidin-1-yl]-[4-(propylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 106588798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).