[5-(3,4-dimethylphenyl)-1-(morpholine-4-carbonyl)piperidin-3-yl] hydrogen carbonate

C19H26N2O5 — CID 67084237

IUPAC[5-(3,4-dimethylphenyl)-1-(morpholine-4-carbonyl)piperidin-3-yl] hydrogen carbonate
SMILESCc1ccc(C2CC(OC(=O)O)CN(C(=O)N3CCOCC3)C2)cc1C
InChIInChI=1S/C19H26N2O5/c1-13-3-4-15(9-14(13)2)16-10-17(26-19(23)24)12-21(11-16)18(22)20-5-7-25-8-6-20/h3-4,9,16-17H,5-8,10-12H2,1-2H3,(H,23,24)
InChIKeyCCYYWWRSFBEIEI-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.61
Rot. Bonds2

About [5-(3,4-dimethylphenyl)-1-(morpholine-4-carbonyl)piperidin-3-yl] hydrogen carbonate

[5-(3,4-dimethylphenyl)-1-(morpholine-4-carbonyl)piperidin-3-yl] hydrogen carbonate (PubChem CID 67084237) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is [5-(3,4-dimethylphenyl)-1-(morpholine-4-carbonyl)piperidin-3-yl] hydrogen carbonate.

Molecular Properties

Compound Name[5-(3,4-dimethylphenyl)-1-(morpholine-4-carbonyl)piperidin-3-yl] hydrogen carbonate
PubChem CID67084237
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Name[5-(3,4-dimethylphenyl)-1-(morpholine-4-carbonyl)piperidin-3-yl] hydrogen carbonate
SMILESCc1ccc(C2CC(OC(=O)O)CN(C(=O)N3CCOCC3)C2)cc1C
InChIInChI=1S/C19H26N2O5/c1-13-3-4-15(9-14(13)2)16-10-17(26-19(23)24)12-21(11-16)18(22)20-5-7-25-8-6-20/h3-4,9,16-17H,5-8,10-12H2,1-2H3,(H,23,24)
InChIKeyCCYYWWRSFBEIEI-UHFFFAOYSA-N
XLogP2.61
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl [5-[3-methyl-4-(trifluoromethoxy)phenyl]-1-(morpholine-4-carbonyl)piperidin-3-yl] carbonate
CID 67084217
[1-(4-cyanopiperidine-1-carbonyl)-5-(3,4-dimethylphenyl)piperidin-3-yl] methyl carbonate
CID 67084335
[5-(4-ethylphenyl)-1-(thiomorpholine-4-carbonyl)piperidin-3-yl] hydrogen carbonate
CID 68762056
[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(thiomorpholine-4-carbonyl)piperidin-3-yl] hydrogen carbonate
CID 68762888
[1-(4-hydroxypiperidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl] hydrogen carbonate
CID 67084196
[1-(4-hydroxypiperidine-1-carbonyl)-5-[3-(trifluoromethyl)phenyl]piperidin-3-yl] hydrogen carbonate
CID 67084250
[3-(3,4-dimethylphenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 58002259
(3,4-dimethylphenyl)-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone
CID 110365079
[3-(5-methyl-1,3,4-thiadiazol-2-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 58002279
tert-butyl N-[[3-[(3S,5S)-1-(morpholine-4-carbonyl)-5-phenylpiperidin-3-yl]oxyphenyl]methyl]carbamate
CID 168861394
1-(morpholine-4-carbonyl)-5-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
CID 58002402
2-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]propanoic acid
CID 68795070

Frequently Asked Questions

What is the IUPAC name of [5-(3,4-dimethylphenyl)-1-(morpholine-4-carbonyl)piperidin-3-yl] hydrogen carbonate?
The IUPAC name of [5-(3,4-dimethylphenyl)-1-(morpholine-4-carbonyl)piperidin-3-yl] hydrogen carbonate (CID 67084237) is [5-(3,4-dimethylphenyl)-1-(morpholine-4-carbonyl)piperidin-3-yl] hydrogen carbonate.
What is the SMILES notation for [5-(3,4-dimethylphenyl)-1-(morpholine-4-carbonyl)piperidin-3-yl] hydrogen carbonate?
The canonical SMILES for [5-(3,4-dimethylphenyl)-1-(morpholine-4-carbonyl)piperidin-3-yl] hydrogen carbonate is Cc1ccc(C2CC(OC(=O)O)CN(C(=O)N3CCOCC3)C2)cc1C.
What is the InChIKey of [5-(3,4-dimethylphenyl)-1-(morpholine-4-carbonyl)piperidin-3-yl] hydrogen carbonate?
The InChIKey is CCYYWWRSFBEIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-13-3-4-15(9-14(13)2)16-10-17(26-19(23)24)12-21(11-16)18(22)20-5-7-25-8-6-20/h3-4,9,16-17H,5-8,10-12H2,1-2H3,(H,23,24).
What are the key properties of [5-(3,4-dimethylphenyl)-1-(morpholine-4-carbonyl)piperidin-3-yl] hydrogen carbonate?
[5-(3,4-dimethylphenyl)-1-(morpholine-4-carbonyl)piperidin-3-yl] hydrogen carbonate has a molecular weight of 362.43 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-dimethylphenyl)-1-(morpholine-4-carbonyl)piperidin-3-yl] hydrogen carbonate is sourced from PubChem (CID 67084237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).