2-(4-chlorophenyl)-N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]acetamide

C20H22ClN3O3 — CID 113014067

IUPAC2-(4-chlorophenyl)-N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ccc(N2CCC3(CC2)OCCO3)nc1
InChIInChI=1S/C20H22ClN3O3/c21-16-3-1-15(2-4-16)13-19(25)23-17-5-6-18(22-14-17)24-9-7-20(8-10-24)26-11-12-27-20/h1-6,14H,7-13H2,(H,23,25)
InChIKeyKMOQWGMIQDIUSW-UHFFFAOYSA-N
MW387.87 g/mol
LogP3.26
Rot. Bonds4

About 2-(4-chlorophenyl)-N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]acetamide

2-(4-chlorophenyl)-N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]acetamide (PubChem CID 113014067) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]acetamide
PubChem CID113014067
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC Name2-(4-chlorophenyl)-N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ccc(N2CCC3(CC2)OCCO3)nc1
InChIInChI=1S/C20H22ClN3O3/c21-16-3-1-15(2-4-16)13-19(25)23-17-5-6-18(22-14-17)24-9-7-20(8-10-24)26-11-12-27-20/h1-6,14H,7-13H2,(H,23,25)
InChIKeyKMOQWGMIQDIUSW-UHFFFAOYSA-N
XLogP3.26
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-chlorophenyl)-N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]acetamide with MolForge

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Related Compounds

N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113014066
4-chloro-N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]benzamide
CID 113014074
N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]acetamide
CID 113014035
2-(4-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide
CID 17444414
N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-2-(4-methylphenoxy)acetamide
CID 113014078
2-(3,4-dichlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 17453496
N-(4-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 6468177
N-(3-chlorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
CID 109159992
N-[6-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenylacetamide
CID 46053238
2-(2,6-dichlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 30770460
[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109190085
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109159983

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]acetamide (CID 113014067) is 2-(4-chlorophenyl)-N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]acetamide is O=C(Cc1ccc(Cl)cc1)Nc1ccc(N2CCC3(CC2)OCCO3)nc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]acetamide?
The InChIKey is KMOQWGMIQDIUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c21-16-3-1-15(2-4-16)13-19(25)23-17-5-6-18(22-14-17)24-9-7-20(8-10-24)26-11-12-27-20/h1-6,14H,7-13H2,(H,23,25).
What are the key properties of 2-(4-chlorophenyl)-N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]acetamide?
2-(4-chlorophenyl)-N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]acetamide has a molecular weight of 387.87 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]acetamide is sourced from PubChem (CID 113014067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).