(3,5-dimethoxyphenyl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone

C19H28N2O4 — CID 95348718

IUPAC(3,5-dimethoxyphenyl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCCC[C@@H]2CN2CCOCC2)c1
InChIInChI=1S/C19H28N2O4/c1-23-17-11-15(12-18(13-17)24-2)19(22)21-6-4-3-5-16(21)14-20-7-9-25-10-8-20/h11-13,16H,3-10,14H2,1-2H3/t16-/m1/s1
InChIKeyQSOBXRRXTAJAEC-MRXNPFEDSA-N
MW348.44 g/mol
LogP2.03
Rot. Bonds5

About (3,5-dimethoxyphenyl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone

(3,5-dimethoxyphenyl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (PubChem CID 95348718) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
PubChem CID95348718
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name(3,5-dimethoxyphenyl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCCC[C@@H]2CN2CCOCC2)c1
InChIInChI=1S/C19H28N2O4/c1-23-17-11-15(12-18(13-17)24-2)19(22)21-6-4-3-5-16(21)14-20-7-9-25-10-8-20/h11-13,16H,3-10,14H2,1-2H3/t16-/m1/s1
InChIKeyQSOBXRRXTAJAEC-MRXNPFEDSA-N
XLogP2.03
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3,4-dimethoxyphenyl)-[(2R)-2-(morpholin-4-ylmethyl)azepan-1-yl]methanone
CID 164638183
[2-(morpholin-4-ylmethyl)piperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 70717304
(4-methoxyphenyl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11529384
[(2S)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-(3-methoxyphenyl)methanone
CID 94800092
(5-amino-2-methylphenyl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 120646100
2-(morpholin-4-ylmethyl)piperidine-1-carbothioic S-acid
CID 91568400
[2-(2-hydroxypropyl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 79548686
[2-(morpholin-4-ylmethyl)piperidin-1-yl]-(2-phenylmethoxy-4-pyridinyl)methanone
CID 75463364
(6-fluoroquinolin-3-yl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 166186679
(2-amino-4-methyl-1,3-thiazol-5-yl)-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 99974262
(2-methylsulfanylphenyl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 70768311
(3,5-dimethoxyphenyl)-[4-(1,3-dioxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 122135627

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (3,5-dimethoxyphenyl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (CID 95348718) is (3,5-dimethoxyphenyl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethoxyphenyl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3,5-dimethoxyphenyl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is COc1cc(OC)cc(C(=O)N2CCCC[C@@H]2CN2CCOCC2)c1.
What is the InChIKey of (3,5-dimethoxyphenyl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is QSOBXRRXTAJAEC-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-23-17-11-15(12-18(13-17)24-2)19(22)21-6-4-3-5-16(21)14-20-7-9-25-10-8-20/h11-13,16H,3-10,14H2,1-2H3/t16-/m1/s1.
What are the key properties of (3,5-dimethoxyphenyl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
(3,5-dimethoxyphenyl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 348.44 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 95348718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).