tert-butyl 3-[(2-carbamoylmorpholin-4-yl)methyl]-3-hydroxypiperidine-1-carboxylate

C16H29N3O5 — CID 126819677

IUPACtert-butyl 3-[(2-carbamoylmorpholin-4-yl)methyl]-3-hydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(O)(CN2CCOC(C(N)=O)C2)C1
InChIInChI=1S/C16H29N3O5/c1-15(2,3)24-14(21)19-6-4-5-16(22,11-19)10-18-7-8-23-12(9-18)13(17)20/h12,22H,4-11H2,1-3H3,(H2,17,20)
InChIKeyLODIQWSDSMAECW-UHFFFAOYSA-N
MW343.42 g/mol
LogP-0.07
Rot. Bonds3

About tert-butyl 3-[(2-carbamoylmorpholin-4-yl)methyl]-3-hydroxypiperidine-1-carboxylate

tert-butyl 3-[(2-carbamoylmorpholin-4-yl)methyl]-3-hydroxypiperidine-1-carboxylate (PubChem CID 126819677) has the molecular formula C16H29N3O5 and a molecular weight of 343.42 g/mol. Its IUPAC name is tert-butyl 3-[(2-carbamoylmorpholin-4-yl)methyl]-3-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(2-carbamoylmorpholin-4-yl)methyl]-3-hydroxypiperidine-1-carboxylate
PubChem CID126819677
Molecular FormulaC16H29N3O5
Molecular Weight343.42 g/mol
Exact Mass343.21
IUPAC Nametert-butyl 3-[(2-carbamoylmorpholin-4-yl)methyl]-3-hydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(O)(CN2CCOC(C(N)=O)C2)C1
InChIInChI=1S/C16H29N3O5/c1-15(2,3)24-14(21)19-6-4-5-16(22,11-19)10-18-7-8-23-12(9-18)13(17)20/h12,22H,4-11H2,1-3H3,(H2,17,20)
InChIKeyLODIQWSDSMAECW-UHFFFAOYSA-N
XLogP-0.07
TPSA105.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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tert-butyl (3R)-3-benzyl-3-hydroxypiperidine-1-carboxylate
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tert-butyl (3S)-3-amino-3-methylpiperidine-1-carboxylate;ethane
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tert-butyl (3S)-3-amino-3-(hydroxymethyl)piperidine-1-carboxylate
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tert-butyl 3-amino-3-(hydroxymethyl)piperidine-1-carboxylate
CID 82662965
tert-butyl 3-(aminooxymethyl)-3-hydroxypyrrolidine-1-carboxylate
CID 105490874
(3S)-3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
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tert-butyl 3-amino-3-(2-oxopropyl)piperidine-1-carboxylate
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tert-butyl 3-amino-3-propylpiperidine-1-carboxylate
CID 83693042

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(2-carbamoylmorpholin-4-yl)methyl]-3-hydroxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(2-carbamoylmorpholin-4-yl)methyl]-3-hydroxypiperidine-1-carboxylate (CID 126819677) is tert-butyl 3-[(2-carbamoylmorpholin-4-yl)methyl]-3-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(2-carbamoylmorpholin-4-yl)methyl]-3-hydroxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(2-carbamoylmorpholin-4-yl)methyl]-3-hydroxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(O)(CN2CCOC(C(N)=O)C2)C1.
What is the InChIKey of tert-butyl 3-[(2-carbamoylmorpholin-4-yl)methyl]-3-hydroxypiperidine-1-carboxylate?
The InChIKey is LODIQWSDSMAECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O5/c1-15(2,3)24-14(21)19-6-4-5-16(22,11-19)10-18-7-8-23-12(9-18)13(17)20/h12,22H,4-11H2,1-3H3,(H2,17,20).
What are the key properties of tert-butyl 3-[(2-carbamoylmorpholin-4-yl)methyl]-3-hydroxypiperidine-1-carboxylate?
tert-butyl 3-[(2-carbamoylmorpholin-4-yl)methyl]-3-hydroxypiperidine-1-carboxylate has a molecular weight of 343.42 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(2-carbamoylmorpholin-4-yl)methyl]-3-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 126819677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).