1-[(2R)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide

C18H28N2O5 — CID 2537339

IUPAC1-[(2R)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide
SMILESCOc1ccc(COC[C@H](O)CN2CCC(C(N)=O)CC2)cc1OC
InChIInChI=1S/C18H28N2O5/c1-23-16-4-3-13(9-17(16)24-2)11-25-12-15(21)10-20-7-5-14(6-8-20)18(19)22/h3-4,9,14-15,21H,5-8,10-12H2,1-2H3,(H2,19,22)/t15-/m1/s1
InChIKeyFEYNTRYXHMEGAI-OAHLLOKOSA-N
MW352.43 g/mol
LogP0.78
Rot. Bonds9

About 1-[(2R)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide

1-[(2R)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide (PubChem CID 2537339) has the molecular formula C18H28N2O5 and a molecular weight of 352.43 g/mol. Its IUPAC name is 1-[(2R)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2R)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide
PubChem CID2537339
Molecular FormulaC18H28N2O5
Molecular Weight352.43 g/mol
Exact Mass352.20
IUPAC Name1-[(2R)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide
SMILESCOc1ccc(COC[C@H](O)CN2CCC(C(N)=O)CC2)cc1OC
InChIInChI=1S/C18H28N2O5/c1-23-16-4-3-13(9-17(16)24-2)11-25-12-15(21)10-20-7-5-14(6-8-20)18(19)22/h3-4,9,14-15,21H,5-8,10-12H2,1-2H3,(H2,19,22)/t15-/m1/s1
InChIKeyFEYNTRYXHMEGAI-OAHLLOKOSA-N
XLogP0.78
TPSA94.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2S)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide
CID 2537341
1-[(2S)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide
CID 39981125
1-[[3-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropoxy]-4-methoxyphenyl]methyl]piperidine-4-carboxamide
CID 97278013
ethyl 4-[(2R)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperazine-1-carboxylate
CID 1039020
1-[(3,4-dimethoxyphenyl)methoxy]-3-morpholin-4-ylpropan-2-ol
CID 2769761
N-[1-[3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidin-4-yl]benzamide
CID 24574365
(2R)-1-[(3,4-dimethoxyphenyl)methoxy]-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 7329897
(2S)-1-(4-methylpiperidin-1-yl)-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol
CID 40604099
(3S)-1-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-3-carboxamide
CID 2560282
(2S)-1-[(3,4-dimethoxyphenyl)methoxy]-3-[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]propan-2-ol
CID 7120879
1-[(2S)-3-[4-(azepan-1-ylmethyl)-2-methoxyphenoxy]-2-hydroxypropyl]piperidin-4-ol
CID 97276509
1-[[4-[3-(azepan-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl]piperidin-4-ol
CID 72870007

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2R)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide (CID 2537339) is 1-[(2R)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2R)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2R)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide is COc1ccc(COC[C@H](O)CN2CCC(C(N)=O)CC2)cc1OC.
What is the InChIKey of 1-[(2R)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide?
The InChIKey is FEYNTRYXHMEGAI-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H28N2O5/c1-23-16-4-3-13(9-17(16)24-2)11-25-12-15(21)10-20-7-5-14(6-8-20)18(19)22/h3-4,9,14-15,21H,5-8,10-12H2,1-2H3,(H2,19,22)/t15-/m1/s1.
What are the key properties of 1-[(2R)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide?
1-[(2R)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 0.78, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide is sourced from PubChem (CID 2537339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).