8-(3-chloro-2-pyridinyl)-3-[(dimethylamino)methyl]-2-oxa-8-azaspiro[4.5]decan-1-one

C16H22ClN3O2 — CID 172670589

IUPAC8-(3-chloro-2-pyridinyl)-3-[(dimethylamino)methyl]-2-oxa-8-azaspiro[4.5]decan-1-one
SMILESCN(C)CC1CC2(CCN(c3ncccc3Cl)CC2)C(=O)O1
InChIInChI=1S/C16H22ClN3O2/c1-19(2)11-12-10-16(15(21)22-12)5-8-20(9-6-16)14-13(17)4-3-7-18-14/h3-4,7,12H,5-6,8-11H2,1-2H3
InChIKeyXMFHVYVYGQWAFB-UHFFFAOYSA-N
MW323.82 g/mol
LogP2.20
Rot. Bonds3

About 8-(3-chloro-2-pyridinyl)-3-[(dimethylamino)methyl]-2-oxa-8-azaspiro[4.5]decan-1-one

8-(3-chloro-2-pyridinyl)-3-[(dimethylamino)methyl]-2-oxa-8-azaspiro[4.5]decan-1-one (PubChem CID 172670589) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is 8-(3-chloro-2-pyridinyl)-3-[(dimethylamino)methyl]-2-oxa-8-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(3-chloro-2-pyridinyl)-3-[(dimethylamino)methyl]-2-oxa-8-azaspiro[4.5]decan-1-one
PubChem CID172670589
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC Name8-(3-chloro-2-pyridinyl)-3-[(dimethylamino)methyl]-2-oxa-8-azaspiro[4.5]decan-1-one
SMILESCN(C)CC1CC2(CCN(c3ncccc3Cl)CC2)C(=O)O1
InChIInChI=1S/C16H22ClN3O2/c1-19(2)11-12-10-16(15(21)22-12)5-8-20(9-6-16)14-13(17)4-3-7-18-14/h3-4,7,12H,5-6,8-11H2,1-2H3
InChIKeyXMFHVYVYGQWAFB-UHFFFAOYSA-N
XLogP2.20
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-benzoyl-3-[(dimethylamino)methyl]-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172663672
8-(2,6-difluorophenyl)sulfonyl-3-[(dimethylamino)methyl]-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172672023
N-[4-chloro-3-[3-[(dimethylamino)methyl]-1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carbonyl]phenyl]acetamide
CID 172674247
methyl 2-[3-[(4-hydroxypiperidin-1-yl)methyl]-1-oxo-2-oxa-8-azaspiro[4.5]decan-8-yl]pyridine-3-carboxylate
CID 172667547
3-[(dimethylamino)methyl]-8-(1H-indazole-3-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172664716
3-[(4-hydroxypiperidin-1-yl)methyl]-8-(1,6-naphthyridin-5-yl)-2-oxa-8-azaspiro[4.5]decan-1-one
CID 175641768
N-[4-[[3-[(dimethylamino)methyl]-1-oxo-2-oxa-8-azaspiro[4.5]decan-8-yl]sulfonyl]phenyl]acetamide
CID 172667360
3-[(dimethylamino)methyl]-8-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)sulfonyl]-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172671176
3-[(dimethylamino)methyl]-8-[3-(4-methylphenyl)propanoyl]-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172669999
3-[(dimethylamino)methyl]-8-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172666497
3-[(dimethylamino)methyl]-8-(5-methyl-3-phenyl-1H-pyrazole-4-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172669525
8-[2-(difluoromethoxy)benzoyl]-3-[(dimethylamino)methyl]-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172666588

Frequently Asked Questions

What is the IUPAC name of 8-(3-chloro-2-pyridinyl)-3-[(dimethylamino)methyl]-2-oxa-8-azaspiro[4.5]decan-1-one?
The IUPAC name of 8-(3-chloro-2-pyridinyl)-3-[(dimethylamino)methyl]-2-oxa-8-azaspiro[4.5]decan-1-one (CID 172670589) is 8-(3-chloro-2-pyridinyl)-3-[(dimethylamino)methyl]-2-oxa-8-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(3-chloro-2-pyridinyl)-3-[(dimethylamino)methyl]-2-oxa-8-azaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(3-chloro-2-pyridinyl)-3-[(dimethylamino)methyl]-2-oxa-8-azaspiro[4.5]decan-1-one is CN(C)CC1CC2(CCN(c3ncccc3Cl)CC2)C(=O)O1.
What is the InChIKey of 8-(3-chloro-2-pyridinyl)-3-[(dimethylamino)methyl]-2-oxa-8-azaspiro[4.5]decan-1-one?
The InChIKey is XMFHVYVYGQWAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2/c1-19(2)11-12-10-16(15(21)22-12)5-8-20(9-6-16)14-13(17)4-3-7-18-14/h3-4,7,12H,5-6,8-11H2,1-2H3.
What are the key properties of 8-(3-chloro-2-pyridinyl)-3-[(dimethylamino)methyl]-2-oxa-8-azaspiro[4.5]decan-1-one?
8-(3-chloro-2-pyridinyl)-3-[(dimethylamino)methyl]-2-oxa-8-azaspiro[4.5]decan-1-one has a molecular weight of 323.82 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chloro-2-pyridinyl)-3-[(dimethylamino)methyl]-2-oxa-8-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 172670589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).