(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride

C19H31ClN4O3 — CID 120934737

IUPAC(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
SMILESCCOC1CC(O)C12CCN(C(=O)C1(n3cccn3)CCNCC1)CC2.Cl
InChIInChI=1S/C19H30N4O3.ClH/c1-2-26-16-14-15(24)18(16)6-12-22(13-7-18)17(25)19(4-9-20-10-5-19)23-11-3-8-21-23;/h3,8,11,15-16,20,24H,2,4-7,9-10,12-14H2,1H3;1H
InChIKeyCVZVHZHOLWJGKU-UHFFFAOYSA-N
MW398.94 g/mol
LogP1.16
Rot. Bonds4

About (3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride

(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride (PubChem CID 120934737) has the molecular formula C19H31ClN4O3 and a molecular weight of 398.94 g/mol. Its IUPAC name is (3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
PubChem CID120934737
Molecular FormulaC19H31ClN4O3
Molecular Weight398.94 g/mol
Exact Mass398.21
IUPAC Name(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
SMILESCCOC1CC(O)C12CCN(C(=O)C1(n3cccn3)CCNCC1)CC2.Cl
InChIInChI=1S/C19H30N4O3.ClH/c1-2-26-16-14-15(24)18(16)6-12-22(13-7-18)17(25)19(4-9-20-10-5-19)23-11-3-8-21-23;/h3,8,11,15-16,20,24H,2,4-7,9-10,12-14H2,1H3;1H
InChIKeyCVZVHZHOLWJGKU-UHFFFAOYSA-N
XLogP1.16
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.94
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

(4-ethyl-4-methylpiperidin-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
CID 120930116
N,N-diethyl-4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazine-1-carboxamide;hydrochloride
CID 120923593
[4-(methoxymethyl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 120931342
(1R,3S)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
CID 95396425
morpholin-4-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
CID 120917128
(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(2-methylpiperidin-2-yl)methanone;hydrochloride
CID 110027361
4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazine-1-sulfonamide;hydrochloride
CID 120920971
[3-(diethylamino)pyrrolidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120938728
[4-(cyclohexylmethyl)piperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120938714
(1-aminocyclopentyl)-[(1S,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
CID 125119367
(1-aminocyclopentyl)-[(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
CID 125119364
[3-(dimethylamino)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120940910

Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride?
The IUPAC name of (3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride (CID 120934737) is (3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride.
What is the SMILES notation for (3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride?
The canonical SMILES for (3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride is CCOC1CC(O)C12CCN(C(=O)C1(n3cccn3)CCNCC1)CC2.Cl.
What is the InChIKey of (3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride?
The InChIKey is CVZVHZHOLWJGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3.ClH/c1-2-26-16-14-15(24)18(16)6-12-22(13-7-18)17(25)19(4-9-20-10-5-19)23-11-3-8-21-23;/h3,8,11,15-16,20,24H,2,4-7,9-10,12-14H2,1H3;1H.
What are the key properties of (3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride?
(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride has a molecular weight of 398.94 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride is sourced from PubChem (CID 120934737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).