methyl 4-(2-morpholin-4-ylethylcarbamoyl)piperidine-1-carboxylate

C14H25N3O4 — CID 110754087

IUPACmethyl 4-(2-morpholin-4-ylethylcarbamoyl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(C(=O)NCCN2CCOCC2)CC1
InChIInChI=1S/C14H25N3O4/c1-20-14(19)17-5-2-12(3-6-17)13(18)15-4-7-16-8-10-21-11-9-16/h12H,2-11H2,1H3,(H,15,18)
InChIKeyPKNYENFIRKWIQE-UHFFFAOYSA-N
MW299.37 g/mol
LogP-0.09
Rot. Bonds4

About methyl 4-(2-morpholin-4-ylethylcarbamoyl)piperidine-1-carboxylate

methyl 4-(2-morpholin-4-ylethylcarbamoyl)piperidine-1-carboxylate (PubChem CID 110754087) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is methyl 4-(2-morpholin-4-ylethylcarbamoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-morpholin-4-ylethylcarbamoyl)piperidine-1-carboxylate
PubChem CID110754087
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Namemethyl 4-(2-morpholin-4-ylethylcarbamoyl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(C(=O)NCCN2CCOCC2)CC1
InChIInChI=1S/C14H25N3O4/c1-20-14(19)17-5-2-12(3-6-17)13(18)15-4-7-16-8-10-21-11-9-16/h12H,2-11H2,1H3,(H,15,18)
InChIKeyPKNYENFIRKWIQE-UHFFFAOYSA-N
XLogP-0.09
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate
CID 110625297
4-N-(2-morpholin-4-ylethyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 46428885
N-(2-morpholin-4-ylethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3448160
N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]oxane-4-carboxamide
CID 112991537
N-[2-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111030584
N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]cyclopentanecarboxamide
CID 47178269
1-methyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
CID 110849698
methyl 4-(2-methylpropylcarbamoyl)piperidine-1-carboxylate
CID 110754077
4-N-cycloheptyl-1-N-(2-morpholin-4-ylethyl)cyclohexane-1,4-dicarboxamide
CID 109147192
1-[(2S)-2-methylbutanoyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 95778134
1-butylsulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 113003547
N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
CID 110689653

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-morpholin-4-ylethylcarbamoyl)piperidine-1-carboxylate?
The IUPAC name of methyl 4-(2-morpholin-4-ylethylcarbamoyl)piperidine-1-carboxylate (CID 110754087) is methyl 4-(2-morpholin-4-ylethylcarbamoyl)piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-(2-morpholin-4-ylethylcarbamoyl)piperidine-1-carboxylate?
The canonical SMILES for methyl 4-(2-morpholin-4-ylethylcarbamoyl)piperidine-1-carboxylate is COC(=O)N1CCC(C(=O)NCCN2CCOCC2)CC1.
What is the InChIKey of methyl 4-(2-morpholin-4-ylethylcarbamoyl)piperidine-1-carboxylate?
The InChIKey is PKNYENFIRKWIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-20-14(19)17-5-2-12(3-6-17)13(18)15-4-7-16-8-10-21-11-9-16/h12H,2-11H2,1H3,(H,15,18).
What are the key properties of methyl 4-(2-morpholin-4-ylethylcarbamoyl)piperidine-1-carboxylate?
methyl 4-(2-morpholin-4-ylethylcarbamoyl)piperidine-1-carboxylate has a molecular weight of 299.37 g/mol, XLogP of -0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-morpholin-4-ylethylcarbamoyl)piperidine-1-carboxylate is sourced from PubChem (CID 110754087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).