(3S)-N,N-dimethyl-3-[(6-methyl-2-pyridinyl)methoxymethyl]-2-oxa-8-azaspiro[4.5]decane-8-carboxamide

C19H29N3O3 — CID 97422994

IUPAC(3S)-N,N-dimethyl-3-[(6-methyl-2-pyridinyl)methoxymethyl]-2-oxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESCc1cccc(COC[C@@H]2CC3(CCN(C(=O)N(C)C)CC3)CO2)n1
InChIInChI=1S/C19H29N3O3/c1-15-5-4-6-16(20-15)12-24-13-17-11-19(14-25-17)7-9-22(10-8-19)18(23)21(2)3/h4-6,17H,7-14H2,1-3H3/t17-/m0/s1
InChIKeyJYPXHHRXKWSHOC-KRWDZBQOSA-N
MW347.46 g/mol
LogP2.46
Rot. Bonds4

About (3S)-N,N-dimethyl-3-[(6-methyl-2-pyridinyl)methoxymethyl]-2-oxa-8-azaspiro[4.5]decane-8-carboxamide

(3S)-N,N-dimethyl-3-[(6-methyl-2-pyridinyl)methoxymethyl]-2-oxa-8-azaspiro[4.5]decane-8-carboxamide (PubChem CID 97422994) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is (3S)-N,N-dimethyl-3-[(6-methyl-2-pyridinyl)methoxymethyl]-2-oxa-8-azaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound Name(3S)-N,N-dimethyl-3-[(6-methyl-2-pyridinyl)methoxymethyl]-2-oxa-8-azaspiro[4.5]decane-8-carboxamide
PubChem CID97422994
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name(3S)-N,N-dimethyl-3-[(6-methyl-2-pyridinyl)methoxymethyl]-2-oxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESCc1cccc(COC[C@@H]2CC3(CCN(C(=O)N(C)C)CC3)CO2)n1
InChIInChI=1S/C19H29N3O3/c1-15-5-4-6-16(20-15)12-24-13-17-11-19(14-25-17)7-9-22(10-8-19)18(23)21(2)3/h4-6,17H,7-14H2,1-3H3/t17-/m0/s1
InChIKeyJYPXHHRXKWSHOC-KRWDZBQOSA-N
XLogP2.46
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-1-[(3R)-3-[(6-methyl-2-pyridinyl)methoxymethyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 97422991
N,N-dimethyl-3-(pyridin-2-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decane-8-carboxamide
CID 131644474
2-methoxy-1-[(3S)-3-(pyridin-2-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 97418410
N,N-dimethyl-8-[(6-methyl-2-pyridinyl)methoxymethyl]-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octane-2-carboxamide
CID 131642760
furan-3-yl-[(3R)-3-(pyridin-2-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97418404
(3S)-8-[(6-methyl-2-pyridinyl)methyl]-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane
CID 97418316
[3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methylphenyl)methanone
CID 131648091
2-[[(3S)-8-(furan-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]-N,N-dimethylacetamide
CID 97474482
furan-2-yl-[3-(pyridin-4-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 133141429
[3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone
CID 131647307
2-[[(3S)-8-(furan-3-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]-N,N-dimethylacetamide
CID 97418169
1-[3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-phenylpropan-1-one
CID 131656240

Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-dimethyl-3-[(6-methyl-2-pyridinyl)methoxymethyl]-2-oxa-8-azaspiro[4.5]decane-8-carboxamide?
The IUPAC name of (3S)-N,N-dimethyl-3-[(6-methyl-2-pyridinyl)methoxymethyl]-2-oxa-8-azaspiro[4.5]decane-8-carboxamide (CID 97422994) is (3S)-N,N-dimethyl-3-[(6-methyl-2-pyridinyl)methoxymethyl]-2-oxa-8-azaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for (3S)-N,N-dimethyl-3-[(6-methyl-2-pyridinyl)methoxymethyl]-2-oxa-8-azaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for (3S)-N,N-dimethyl-3-[(6-methyl-2-pyridinyl)methoxymethyl]-2-oxa-8-azaspiro[4.5]decane-8-carboxamide is Cc1cccc(COC[C@@H]2CC3(CCN(C(=O)N(C)C)CC3)CO2)n1.
What is the InChIKey of (3S)-N,N-dimethyl-3-[(6-methyl-2-pyridinyl)methoxymethyl]-2-oxa-8-azaspiro[4.5]decane-8-carboxamide?
The InChIKey is JYPXHHRXKWSHOC-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-15-5-4-6-16(20-15)12-24-13-17-11-19(14-25-17)7-9-22(10-8-19)18(23)21(2)3/h4-6,17H,7-14H2,1-3H3/t17-/m0/s1.
What are the key properties of (3S)-N,N-dimethyl-3-[(6-methyl-2-pyridinyl)methoxymethyl]-2-oxa-8-azaspiro[4.5]decane-8-carboxamide?
(3S)-N,N-dimethyl-3-[(6-methyl-2-pyridinyl)methoxymethyl]-2-oxa-8-azaspiro[4.5]decane-8-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-dimethyl-3-[(6-methyl-2-pyridinyl)methoxymethyl]-2-oxa-8-azaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 97422994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).