N-(3-ethoxyspiro[3.4]octan-1-yl)-3-hydroxypiperidine-1-carboxamide

C16H28N2O3 — CID 111509101

IUPACN-(3-ethoxyspiro[3.4]octan-1-yl)-3-hydroxypiperidine-1-carboxamide
SMILESCCOC1CC(NC(=O)N2CCCC(O)C2)C12CCCC2
InChIInChI=1S/C16H28N2O3/c1-2-21-14-10-13(16(14)7-3-4-8-16)17-15(20)18-9-5-6-12(19)11-18/h12-14,19H,2-11H2,1H3,(H,17,20)
InChIKeyJMDXEAUSFBLJPI-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.89
Rot. Bonds3

About N-(3-ethoxyspiro[3.4]octan-1-yl)-3-hydroxypiperidine-1-carboxamide

N-(3-ethoxyspiro[3.4]octan-1-yl)-3-hydroxypiperidine-1-carboxamide (PubChem CID 111509101) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is N-(3-ethoxyspiro[3.4]octan-1-yl)-3-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxyspiro[3.4]octan-1-yl)-3-hydroxypiperidine-1-carboxamide
PubChem CID111509101
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC NameN-(3-ethoxyspiro[3.4]octan-1-yl)-3-hydroxypiperidine-1-carboxamide
SMILESCCOC1CC(NC(=O)N2CCCC(O)C2)C12CCCC2
InChIInChI=1S/C16H28N2O3/c1-2-21-14-10-13(16(14)7-3-4-8-16)17-15(20)18-9-5-6-12(19)11-18/h12-14,19H,2-11H2,1H3,(H,17,20)
InChIKeyJMDXEAUSFBLJPI-UHFFFAOYSA-N
XLogP1.89
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-ethoxyspiro[3.4]octan-1-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122004396
(3R)-N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-3-(hydroxymethyl)-3-methylpiperidine-1-carboxamide
CID 99623012
N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-4-imidazol-1-ylpiperidine-1-carboxamide
CID 97219565
N-(3-ethoxyspiro[3.5]nonan-1-yl)acetamide
CID 86769478
N-(3-ethoxyspiro[3.3]heptan-1-yl)-2-(1-hydroxycyclopentyl)acetamide
CID 111540303
N-(3-ethoxyspiro[3.4]octan-1-yl)-2-(methylamino)acetamide
CID 119794737
(3S,4S)-1-[(3-ethoxy-7-oxaspiro[3.5]nonan-1-yl)carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122010384
1-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]urea
CID 95928164
(2S)-2-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)propanamide
CID 119335880
2-[(3-ethoxyspiro[3.3]heptan-1-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120976421
3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)propanamide;hydrochloride
CID 119329855
3-[(3-ethoxyspiro[3.5]nonan-1-yl)carbamoylamino]propanoic acid
CID 122005372

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyspiro[3.4]octan-1-yl)-3-hydroxypiperidine-1-carboxamide?
The IUPAC name of N-(3-ethoxyspiro[3.4]octan-1-yl)-3-hydroxypiperidine-1-carboxamide (CID 111509101) is N-(3-ethoxyspiro[3.4]octan-1-yl)-3-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for N-(3-ethoxyspiro[3.4]octan-1-yl)-3-hydroxypiperidine-1-carboxamide?
The canonical SMILES for N-(3-ethoxyspiro[3.4]octan-1-yl)-3-hydroxypiperidine-1-carboxamide is CCOC1CC(NC(=O)N2CCCC(O)C2)C12CCCC2.
What is the InChIKey of N-(3-ethoxyspiro[3.4]octan-1-yl)-3-hydroxypiperidine-1-carboxamide?
The InChIKey is JMDXEAUSFBLJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-2-21-14-10-13(16(14)7-3-4-8-16)17-15(20)18-9-5-6-12(19)11-18/h12-14,19H,2-11H2,1H3,(H,17,20).
What are the key properties of N-(3-ethoxyspiro[3.4]octan-1-yl)-3-hydroxypiperidine-1-carboxamide?
N-(3-ethoxyspiro[3.4]octan-1-yl)-3-hydroxypiperidine-1-carboxamide has a molecular weight of 296.41 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyspiro[3.4]octan-1-yl)-3-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 111509101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).