1-(3-methoxy-4-propylpiperidin-4-yl)ethanone

C11H21NO2 — CID 135190078

IUPAC1-(3-methoxy-4-propylpiperidin-4-yl)ethanone
SMILESCCCC1(C(C)=O)CCNCC1OC
InChIInChI=1S/C11H21NO2/c1-4-5-11(9(2)13)6-7-12-8-10(11)14-3/h10,12H,4-8H2,1-3H3
InChIKeyYAKPUHLMTXQVDN-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.37
Rot. Bonds4

About 1-(3-methoxy-4-propylpiperidin-4-yl)ethanone

1-(3-methoxy-4-propylpiperidin-4-yl)ethanone (PubChem CID 135190078) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-(3-methoxy-4-propylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-(3-methoxy-4-propylpiperidin-4-yl)ethanone
PubChem CID135190078
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-(3-methoxy-4-propylpiperidin-4-yl)ethanone
SMILESCCCC1(C(C)=O)CCNCC1OC
InChIInChI=1S/C11H21NO2/c1-4-5-11(9(2)13)6-7-12-8-10(11)14-3/h10,12H,4-8H2,1-3H3
InChIKeyYAKPUHLMTXQVDN-UHFFFAOYSA-N
XLogP1.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3R,4S)-3,4-dimethoxypiperidine-4-carboxylate;hydrochloride
CID 154577268
(3R,4R)-4-(2-ethoxy-2-oxoethyl)-3-ethylpiperidine-4-carboxylic acid
CID 97305809
1-[(1R,6S)-3-azabicyclo[4.1.0]heptan-6-yl]ethanone
CID 118681176
4-propyl-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxylic acid
CID 63125584
(3S,4S)-4-amino-3-propylpyrrolidine-3-carboxylic acid
CID 130762276
4-methyl-3-(2-methylpropoxy)piperidin-4-ol
CID 130495455
methyl (1S,6S)-3-azabicyclo[4.1.0]heptane-6-carboxylate;hydrochloride
CID 135382656
3-ethyl-4-methyl-4-propylpiperidine
CID 79321517
N-(2,2-diethyl-3-methoxycyclobutyl)-4-methoxypiperidine-4-carboxamide
CID 119821940
(3,4-dimethoxyphenyl)-(4-propylpiperidin-4-yl)methanone
CID 116569157
(3-methoxypyrrolidin-1-yl)-(3-propylpyrrolidin-3-yl)methanone
CID 103532913
methyl 7,7-difluoro-3-azabicyclo[4.1.0]heptane-6-carboxylate
CID 121207594

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-propylpiperidin-4-yl)ethanone?
The IUPAC name of 1-(3-methoxy-4-propylpiperidin-4-yl)ethanone (CID 135190078) is 1-(3-methoxy-4-propylpiperidin-4-yl)ethanone.
What is the SMILES notation for 1-(3-methoxy-4-propylpiperidin-4-yl)ethanone?
The canonical SMILES for 1-(3-methoxy-4-propylpiperidin-4-yl)ethanone is CCCC1(C(C)=O)CCNCC1OC.
What is the InChIKey of 1-(3-methoxy-4-propylpiperidin-4-yl)ethanone?
The InChIKey is YAKPUHLMTXQVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-5-11(9(2)13)6-7-12-8-10(11)14-3/h10,12H,4-8H2,1-3H3.
What are the key properties of 1-(3-methoxy-4-propylpiperidin-4-yl)ethanone?
1-(3-methoxy-4-propylpiperidin-4-yl)ethanone has a molecular weight of 199.29 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-propylpiperidin-4-yl)ethanone is sourced from PubChem (CID 135190078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).