methyl 4-(3-pyridin-4-ylpropanoyl)morpholine-2-carboxylate

C14H18N2O4 — CID 78927221

IUPACmethyl 4-(3-pyridin-4-ylpropanoyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)CCc2ccncc2)CCO1
InChIInChI=1S/C14H18N2O4/c1-19-14(18)12-10-16(8-9-20-12)13(17)3-2-11-4-6-15-7-5-11/h4-7,12H,2-3,8-10H2,1H3
InChIKeyUIQVOTPSPCXTQP-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.41
Rot. Bonds4

About methyl 4-(3-pyridin-4-ylpropanoyl)morpholine-2-carboxylate

methyl 4-(3-pyridin-4-ylpropanoyl)morpholine-2-carboxylate (PubChem CID 78927221) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is methyl 4-(3-pyridin-4-ylpropanoyl)morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-pyridin-4-ylpropanoyl)morpholine-2-carboxylate
PubChem CID78927221
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Namemethyl 4-(3-pyridin-4-ylpropanoyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)CCc2ccncc2)CCO1
InChIInChI=1S/C14H18N2O4/c1-19-14(18)12-10-16(8-9-20-12)13(17)3-2-11-4-6-15-7-5-11/h4-7,12H,2-3,8-10H2,1H3
InChIKeyUIQVOTPSPCXTQP-UHFFFAOYSA-N
XLogP0.41
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one
CID 42241699
methyl 4-[2-(4-hydroxyphenyl)acetyl]morpholine-2-carboxylate
CID 80706522
methyl 4-heptanoylmorpholine-2-carboxylate
CID 78926830
methyl 4-(5-bromopentanoyl)morpholine-2-carboxylate
CID 107910433
1-[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one
CID 42293003
methyl 4-[2-(thiophen-2-ylmethylsulfanyl)acetyl]morpholine-2-carboxylate
CID 78926687
1-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one
CID 95180794
methyl 4-[2-(4-cyanophenyl)acetyl]morpholine-2-carboxylate
CID 78926753
methyl 4-(2-thiophen-2-ylsulfanylacetyl)morpholine-2-carboxylate
CID 78926910
methyl 2-[4-(2-pyridin-4-ylacetyl)morpholin-2-yl]acetate
CID 115535926
(2S)-4-[3-(3,5-dimethoxyphenyl)propanoyl]morpholine-2-carboxylic acid
CID 125120675
(2R)-4-[3-[4-(trifluoromethyl)phenyl]propanoyl]morpholine-2-carboxylic acid
CID 124700706

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-pyridin-4-ylpropanoyl)morpholine-2-carboxylate?
The IUPAC name of methyl 4-(3-pyridin-4-ylpropanoyl)morpholine-2-carboxylate (CID 78927221) is methyl 4-(3-pyridin-4-ylpropanoyl)morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-(3-pyridin-4-ylpropanoyl)morpholine-2-carboxylate?
The canonical SMILES for methyl 4-(3-pyridin-4-ylpropanoyl)morpholine-2-carboxylate is COC(=O)C1CN(C(=O)CCc2ccncc2)CCO1.
What is the InChIKey of methyl 4-(3-pyridin-4-ylpropanoyl)morpholine-2-carboxylate?
The InChIKey is UIQVOTPSPCXTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-19-14(18)12-10-16(8-9-20-12)13(17)3-2-11-4-6-15-7-5-11/h4-7,12H,2-3,8-10H2,1H3.
What are the key properties of methyl 4-(3-pyridin-4-ylpropanoyl)morpholine-2-carboxylate?
methyl 4-(3-pyridin-4-ylpropanoyl)morpholine-2-carboxylate has a molecular weight of 278.31 g/mol, XLogP of 0.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-pyridin-4-ylpropanoyl)morpholine-2-carboxylate is sourced from PubChem (CID 78927221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).