(4-methylpiperidin-1-yl)-(3-propoxypiperidin-1-yl)methanone

C15H28N2O2 — CID 116654904

IUPAC(4-methylpiperidin-1-yl)-(3-propoxypiperidin-1-yl)methanone
SMILESCCCOC1CCCN(C(=O)N2CCC(C)CC2)C1
InChIInChI=1S/C15H28N2O2/c1-3-11-19-14-5-4-8-17(12-14)15(18)16-9-6-13(2)7-10-16/h13-14H,3-12H2,1-2H3
InChIKeyUTEOBMISHVVPET-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.73
Rot. Bonds3

About (4-methylpiperidin-1-yl)-(3-propoxypiperidin-1-yl)methanone

(4-methylpiperidin-1-yl)-(3-propoxypiperidin-1-yl)methanone (PubChem CID 116654904) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-(3-propoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-(3-propoxypiperidin-1-yl)methanone
PubChem CID116654904
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name(4-methylpiperidin-1-yl)-(3-propoxypiperidin-1-yl)methanone
SMILESCCCOC1CCCN(C(=O)N2CCC(C)CC2)C1
InChIInChI=1S/C15H28N2O2/c1-3-11-19-14-5-4-8-17(12-14)15(18)16-9-6-13(2)7-10-16/h13-14H,3-12H2,1-2H3
InChIKeyUTEOBMISHVVPET-UHFFFAOYSA-N
XLogP2.73
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(3-propoxypiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 63147419
N-ethyl-3-propoxypiperidine-1-carboxamide
CID 115595374
(6-methylpiperidin-2-yl)-(3-propoxypiperidin-1-yl)methanone
CID 54989812
2-amino-1-(3-propoxypiperidin-1-yl)butan-1-one
CID 61169570
2-methoxy-1-(3-propoxypiperidin-1-yl)propan-1-one
CID 112687423
[4-(2-hydroxyethoxy)piperidin-1-yl]-(4-methylpiperidin-1-yl)methanone
CID 82691361
azetidin-1-yl-(3-methylpyrrolidin-1-yl)methanone
CID 166738845
(1-amino-3-methylcyclohexyl)-(3-propoxypiperidin-1-yl)methanone
CID 64554425
2,2-dimethyl-4-oxo-4-(3-propoxypiperidin-1-yl)butanoic acid
CID 65299943
(2-aminocyclopentyl)-(3-propoxypiperidin-1-yl)methanone
CID 64822657
[1-(aminomethyl)cyclopropyl]-(3-propoxypiperidin-1-yl)methanone
CID 80587134
2-(butan-2-ylamino)-1-(3-propoxypiperidin-1-yl)ethanone
CID 61170154

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-(3-propoxypiperidin-1-yl)methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-(3-propoxypiperidin-1-yl)methanone (CID 116654904) is (4-methylpiperidin-1-yl)-(3-propoxypiperidin-1-yl)methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-(3-propoxypiperidin-1-yl)methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-(3-propoxypiperidin-1-yl)methanone is CCCOC1CCCN(C(=O)N2CCC(C)CC2)C1.
What is the InChIKey of (4-methylpiperidin-1-yl)-(3-propoxypiperidin-1-yl)methanone?
The InChIKey is UTEOBMISHVVPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-3-11-19-14-5-4-8-17(12-14)15(18)16-9-6-13(2)7-10-16/h13-14H,3-12H2,1-2H3.
What are the key properties of (4-methylpiperidin-1-yl)-(3-propoxypiperidin-1-yl)methanone?
(4-methylpiperidin-1-yl)-(3-propoxypiperidin-1-yl)methanone has a molecular weight of 268.40 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-(3-propoxypiperidin-1-yl)methanone is sourced from PubChem (CID 116654904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).