N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-6-azaspiro[2.5]octane-2-carboxamide;dihydrochloride

C20H31Cl2N3O2 — CID 154912274

IUPACN-[4-(1-methylpiperidin-4-yl)oxyphenyl]-6-azaspiro[2.5]octane-2-carboxamide;dihydrochloride
SMILESCN1CCC(Oc2ccc(NC(=O)C3CC34CCNCC4)cc2)CC1.Cl.Cl
InChIInChI=1S/C20H29N3O2.2ClH/c1-23-12-6-17(7-13-23)25-16-4-2-15(3-5-16)22-19(24)18-14-20(18)8-10-21-11-9-20;;/h2-5,17-18,21H,6-14H2,1H3,(H,22,24);2*1H
InChIKeyPANWGYHJYLSCBG-UHFFFAOYSA-N
MW416.39 g/mol
LogP3.33
Rot. Bonds4

About N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-6-azaspiro[2.5]octane-2-carboxamide;dihydrochloride

N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-6-azaspiro[2.5]octane-2-carboxamide;dihydrochloride (PubChem CID 154912274) has the molecular formula C20H31Cl2N3O2 and a molecular weight of 416.39 g/mol. Its IUPAC name is N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-6-azaspiro[2.5]octane-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[4-(1-methylpiperidin-4-yl)oxyphenyl]-6-azaspiro[2.5]octane-2-carboxamide;dihydrochloride
PubChem CID154912274
Molecular FormulaC20H31Cl2N3O2
Molecular Weight416.39 g/mol
Exact Mass415.18
IUPAC NameN-[4-(1-methylpiperidin-4-yl)oxyphenyl]-6-azaspiro[2.5]octane-2-carboxamide;dihydrochloride
SMILESCN1CCC(Oc2ccc(NC(=O)C3CC34CCNCC4)cc2)CC1.Cl.Cl
InChIInChI=1S/C20H29N3O2.2ClH/c1-23-12-6-17(7-13-23)25-16-4-2-15(3-5-16)22-19(24)18-14-20(18)8-10-21-11-9-20;;/h2-5,17-18,21H,6-14H2,1H3,(H,22,24);2*1H
InChIKeyPANWGYHJYLSCBG-UHFFFAOYSA-N
XLogP3.33
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.39
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-6-azaspiro[2.5]octane-2-carboxamide;dihydrochloride with MolForge

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Related Compounds

N-[4-(1-methylpiperidin-4-yl)oxyphenyl]azetidine-2-carboxamide
CID 131934085
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;dihydrochloride
CID 154894158
5-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-oxopentanoic acid
CID 131939316
cis-(1S,2R)-2-N-tert-butyl-1-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]cyclohexane-1,2-dicarboxamide
CID 131920797
N-(4-methoxyphenyl)spiro[2.3]hexane-2-carboxamide
CID 3967307
(2S)-N-(4-pyrazol-1-ylphenyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 124701403
N-(4-cyclopentyloxyphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119714806
3,5-dichloro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide
CID 171152518
2,6-dimethoxy-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide
CID 99970957
2-(4-bromophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
CID 132669905
(2S)-2-(4-chlorophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
CID 99971545
(3R)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 95119187

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-6-azaspiro[2.5]octane-2-carboxamide;dihydrochloride?
The IUPAC name of N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-6-azaspiro[2.5]octane-2-carboxamide;dihydrochloride (CID 154912274) is N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-6-azaspiro[2.5]octane-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-6-azaspiro[2.5]octane-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-6-azaspiro[2.5]octane-2-carboxamide;dihydrochloride is CN1CCC(Oc2ccc(NC(=O)C3CC34CCNCC4)cc2)CC1.Cl.Cl.
What is the InChIKey of N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-6-azaspiro[2.5]octane-2-carboxamide;dihydrochloride?
The InChIKey is PANWGYHJYLSCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2.2ClH/c1-23-12-6-17(7-13-23)25-16-4-2-15(3-5-16)22-19(24)18-14-20(18)8-10-21-11-9-20;;/h2-5,17-18,21H,6-14H2,1H3,(H,22,24);2*1H.
What are the key properties of N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-6-azaspiro[2.5]octane-2-carboxamide;dihydrochloride?
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-6-azaspiro[2.5]octane-2-carboxamide;dihydrochloride has a molecular weight of 416.39 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-6-azaspiro[2.5]octane-2-carboxamide;dihydrochloride is sourced from PubChem (CID 154912274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).