[3-[(4-chloropyrazol-1-yl)methoxy]phenyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

C18H20ClN3O4 — CID 19616228

IUPAC[3-[(4-chloropyrazol-1-yl)methoxy]phenyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESO=C(c1cccc(OCn2cc(Cl)cn2)c1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C18H20ClN3O4/c19-15-11-20-22(12-15)13-24-16-3-1-2-14(10-16)17(23)21-6-4-18(5-7-21)25-8-9-26-18/h1-3,10-12H,4-9,13H2
InChIKeyOZDBGPBSPZKPBI-UHFFFAOYSA-N
MW377.83 g/mol
LogP2.55
Rot. Bonds4

About [3-[(4-chloropyrazol-1-yl)methoxy]phenyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

[3-[(4-chloropyrazol-1-yl)methoxy]phenyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 19616228) has the molecular formula C18H20ClN3O4 and a molecular weight of 377.83 g/mol. Its IUPAC name is [3-[(4-chloropyrazol-1-yl)methoxy]phenyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name[3-[(4-chloropyrazol-1-yl)methoxy]phenyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID19616228
Molecular FormulaC18H20ClN3O4
Molecular Weight377.83 g/mol
Exact Mass377.11
IUPAC Name[3-[(4-chloropyrazol-1-yl)methoxy]phenyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESO=C(c1cccc(OCn2cc(Cl)cn2)c1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C18H20ClN3O4/c19-15-11-20-22(12-15)13-24-16-3-1-2-14(10-16)17(23)21-6-4-18(5-7-21)25-8-9-26-18/h1-3,10-12H,4-9,13H2
InChIKeyOZDBGPBSPZKPBI-UHFFFAOYSA-N
XLogP2.55
TPSA65.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenoxy]acetamide
CID 43057736
[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl] acetate
CID 57224433
[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051667
[2-(3-chloroanilino)pyrimidin-5-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109261603
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(3-methoxyanilino)pyrimidin-5-yl]methanone
CID 109261611
(5-chloro-2-pyridinyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 78995303
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]methanone
CID 109173959
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[2-(3-methoxyphenyl)ethylamino]-4-pyridinyl]methanone
CID 109172902
N-[[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]methyl]acetamide
CID 112531337
1-[(3-chlorophenoxy)methyl]pyrazol-4-amine
CID 7017255
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(3-fluorobenzoyl)piperidin-4-yl]methanone
CID 113005055
[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109156918

Frequently Asked Questions

What is the IUPAC name of [3-[(4-chloropyrazol-1-yl)methoxy]phenyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of [3-[(4-chloropyrazol-1-yl)methoxy]phenyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (CID 19616228) is [3-[(4-chloropyrazol-1-yl)methoxy]phenyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for [3-[(4-chloropyrazol-1-yl)methoxy]phenyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for [3-[(4-chloropyrazol-1-yl)methoxy]phenyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is O=C(c1cccc(OCn2cc(Cl)cn2)c1)N1CCC2(CC1)OCCO2.
What is the InChIKey of [3-[(4-chloropyrazol-1-yl)methoxy]phenyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is OZDBGPBSPZKPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O4/c19-15-11-20-22(12-15)13-24-16-3-1-2-14(10-16)17(23)21-6-4-18(5-7-21)25-8-9-26-18/h1-3,10-12H,4-9,13H2.
What are the key properties of [3-[(4-chloropyrazol-1-yl)methoxy]phenyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
[3-[(4-chloropyrazol-1-yl)methoxy]phenyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 377.83 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-chloropyrazol-1-yl)methoxy]phenyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 19616228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).