ethyl 4-[(3-carbamoyl-3-methylpiperidin-1-yl)methyl]-4-hydroxypiperidine-1-carboxylate

C16H29N3O4 — CID 132776814

IUPACethyl 4-[(3-carbamoyl-3-methylpiperidin-1-yl)methyl]-4-hydroxypiperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(O)(CN2CCCC(C)(C(N)=O)C2)CC1
InChIInChI=1S/C16H29N3O4/c1-3-23-14(21)19-9-6-16(22,7-10-19)12-18-8-4-5-15(2,11-18)13(17)20/h22H,3-12H2,1-2H3,(H2,17,20)
InChIKeyWBNXBJGJYIUDQV-UHFFFAOYSA-N
MW327.43 g/mol
LogP0.56
Rot. Bonds4

About ethyl 4-[(3-carbamoyl-3-methylpiperidin-1-yl)methyl]-4-hydroxypiperidine-1-carboxylate

ethyl 4-[(3-carbamoyl-3-methylpiperidin-1-yl)methyl]-4-hydroxypiperidine-1-carboxylate (PubChem CID 132776814) has the molecular formula C16H29N3O4 and a molecular weight of 327.43 g/mol. Its IUPAC name is ethyl 4-[(3-carbamoyl-3-methylpiperidin-1-yl)methyl]-4-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3-carbamoyl-3-methylpiperidin-1-yl)methyl]-4-hydroxypiperidine-1-carboxylate
PubChem CID132776814
Molecular FormulaC16H29N3O4
Molecular Weight327.43 g/mol
Exact Mass327.22
IUPAC Nameethyl 4-[(3-carbamoyl-3-methylpiperidin-1-yl)methyl]-4-hydroxypiperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(O)(CN2CCCC(C)(C(N)=O)C2)CC1
InChIInChI=1S/C16H29N3O4/c1-3-23-14(21)19-9-6-16(22,7-10-19)12-18-8-4-5-15(2,11-18)13(17)20/h22H,3-12H2,1-2H3,(H2,17,20)
InChIKeyWBNXBJGJYIUDQV-UHFFFAOYSA-N
XLogP0.56
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-hydroxy-4-methylazepane-1-carboxylate
CID 107406895
ethyl 4-hydroxy-4-(oxiran-2-ylmethyl)piperidine-1-carboxylate
CID 10421345
ethyl 4-[2-(4-ethoxycarbonylpiperazin-1-yl)ethyl]piperazine-1-carboxylate
CID 23424429
ethyl 4-(3-carbamoyl-3-methylpyrrolidin-1-yl)-4-oxobutanoate
CID 114081822
ethyl 4-methyl-4-propylazepane-1-carboxylate
CID 146751878
ethyl azetidine-1-carboxylate
CID 14088501
1-[2-(ethoxycarbonylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid
CID 63137328
ethyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 70795313
1-O-tert-butyl 3-O-ethyl (3R)-3-methylpiperidine-1,3-dicarboxylate
CID 86306952
tert-butyl 4-(aminomethyl)-4-hydroxyazepane-1-carboxylate
CID 56698914
ethyl pyrrolidine-1-carboxylate;methanol
CID 153400940
ethyl azacycloundecane-1-carboxylate
CID 67670496

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-carbamoyl-3-methylpiperidin-1-yl)methyl]-4-hydroxypiperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(3-carbamoyl-3-methylpiperidin-1-yl)methyl]-4-hydroxypiperidine-1-carboxylate (CID 132776814) is ethyl 4-[(3-carbamoyl-3-methylpiperidin-1-yl)methyl]-4-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(3-carbamoyl-3-methylpiperidin-1-yl)methyl]-4-hydroxypiperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(3-carbamoyl-3-methylpiperidin-1-yl)methyl]-4-hydroxypiperidine-1-carboxylate is CCOC(=O)N1CCC(O)(CN2CCCC(C)(C(N)=O)C2)CC1.
What is the InChIKey of ethyl 4-[(3-carbamoyl-3-methylpiperidin-1-yl)methyl]-4-hydroxypiperidine-1-carboxylate?
The InChIKey is WBNXBJGJYIUDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O4/c1-3-23-14(21)19-9-6-16(22,7-10-19)12-18-8-4-5-15(2,11-18)13(17)20/h22H,3-12H2,1-2H3,(H2,17,20).
What are the key properties of ethyl 4-[(3-carbamoyl-3-methylpiperidin-1-yl)methyl]-4-hydroxypiperidine-1-carboxylate?
ethyl 4-[(3-carbamoyl-3-methylpiperidin-1-yl)methyl]-4-hydroxypiperidine-1-carboxylate has a molecular weight of 327.43 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-carbamoyl-3-methylpiperidin-1-yl)methyl]-4-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 132776814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).