(2-ethylpiperidin-1-yl)-[3-methoxy-4-(2-methylpropoxy)phenyl]methanone

C19H29NO3 — CID 112760228

IUPAC(2-ethylpiperidin-1-yl)-[3-methoxy-4-(2-methylpropoxy)phenyl]methanone
SMILESCCC1CCCCN1C(=O)c1ccc(OCC(C)C)c(OC)c1
InChIInChI=1S/C19H29NO3/c1-5-16-8-6-7-11-20(16)19(21)15-9-10-17(18(12-15)22-4)23-13-14(2)3/h9-10,12,14,16H,5-8,11,13H2,1-4H3
InChIKeyGGUIKCGKQKDXNC-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.13
Rot. Bonds6

About (2-ethylpiperidin-1-yl)-[3-methoxy-4-(2-methylpropoxy)phenyl]methanone

(2-ethylpiperidin-1-yl)-[3-methoxy-4-(2-methylpropoxy)phenyl]methanone (PubChem CID 112760228) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-[3-methoxy-4-(2-methylpropoxy)phenyl]methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-[3-methoxy-4-(2-methylpropoxy)phenyl]methanone
PubChem CID112760228
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC Name(2-ethylpiperidin-1-yl)-[3-methoxy-4-(2-methylpropoxy)phenyl]methanone
SMILESCCC1CCCCN1C(=O)c1ccc(OCC(C)C)c(OC)c1
InChIInChI=1S/C19H29NO3/c1-5-16-8-6-7-11-20(16)19(21)15-9-10-17(18(12-15)22-4)23-13-14(2)3/h9-10,12,14,16H,5-8,11,13H2,1-4H3
InChIKeyGGUIKCGKQKDXNC-UHFFFAOYSA-N
XLogP4.13
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-ethylpiperidin-1-yl)-[3-methoxy-4-(2-methylpropoxy)phenyl]methanone with MolForge

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Related Compounds

(4-amino-3-methoxyphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 104782396
azocan-1-yl-[3-methoxy-4-(2-methylpropoxy)phenyl]methanone
CID 112793157
[2-(aminomethyl)piperidin-1-yl]-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;hydrochloride
CID 119468928
cyclopropyl-[4-[3-methoxy-4-(2-methylpropoxy)benzoyl]-1,4-diazepan-1-yl]methanone
CID 136534070
[2-(aminomethyl)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 63753428
2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone
CID 55544127
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-(2-ethylpiperidin-1-yl)methanone
CID 51147869
[2-(2-chloroethyl)piperidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 63393532
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
(3,4-dimethoxyphenyl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 53193381
[2-(aminomethyl)piperidin-1-yl]-(4-cyclopentyloxy-3-methoxyphenyl)methanone;hydrochloride
CID 119467821
[2-(aminomethyl)pyrrolidin-1-yl]-(4-butoxy-3-methoxyphenyl)methanone
CID 119632890

Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-[3-methoxy-4-(2-methylpropoxy)phenyl]methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-[3-methoxy-4-(2-methylpropoxy)phenyl]methanone (CID 112760228) is (2-ethylpiperidin-1-yl)-[3-methoxy-4-(2-methylpropoxy)phenyl]methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-[3-methoxy-4-(2-methylpropoxy)phenyl]methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-[3-methoxy-4-(2-methylpropoxy)phenyl]methanone is CCC1CCCCN1C(=O)c1ccc(OCC(C)C)c(OC)c1.
What is the InChIKey of (2-ethylpiperidin-1-yl)-[3-methoxy-4-(2-methylpropoxy)phenyl]methanone?
The InChIKey is GGUIKCGKQKDXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-5-16-8-6-7-11-20(16)19(21)15-9-10-17(18(12-15)22-4)23-13-14(2)3/h9-10,12,14,16H,5-8,11,13H2,1-4H3.
What are the key properties of (2-ethylpiperidin-1-yl)-[3-methoxy-4-(2-methylpropoxy)phenyl]methanone?
(2-ethylpiperidin-1-yl)-[3-methoxy-4-(2-methylpropoxy)phenyl]methanone has a molecular weight of 319.45 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-[3-methoxy-4-(2-methylpropoxy)phenyl]methanone is sourced from PubChem (CID 112760228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).