9-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

C20H29N3O3 — CID 97144814

IUPAC9-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(C[C@@H]3COCCO3)CC2)CN1Cc1cccnc1
InChIInChI=1S/C20H29N3O3/c24-19-3-4-20(16-23(19)13-17-2-1-7-21-12-17)5-8-22(9-6-20)14-18-15-25-10-11-26-18/h1-2,7,12,18H,3-6,8-11,13-16H2/t18-/m1/s1
InChIKeyFCTSVGDFKZUNSH-GOSISDBHSA-N
MW359.47 g/mol
LogP1.70
Rot. Bonds4

About 9-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

9-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97144814) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 9-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID97144814
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name9-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(C[C@@H]3COCCO3)CC2)CN1Cc1cccnc1
InChIInChI=1S/C20H29N3O3/c24-19-3-4-20(16-23(19)13-17-2-1-7-21-12-17)5-8-22(9-6-20)14-18-15-25-10-11-26-18/h1-2,7,12,18H,3-6,8-11,13-16H2/t18-/m1/s1
InChIKeyFCTSVGDFKZUNSH-GOSISDBHSA-N
XLogP1.70
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(1,4-dioxan-2-ylmethyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72914999
9-[(2-methylpyrazol-3-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 98895621
2-benzyl-9-[[(2R)-oxan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97136898
9-(oxolan-2-ylmethyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecane
CID 134078868
9-(4-methylpiperazine-1-carbonyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72937261
9-[(2S)-2-amino-3-hydroxypropanoyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72879649
2-(pyridin-3-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-3-one
CID 70779359
(6R)-8-pyrazin-2-yl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95889268
9-ethylsulfonyl-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid
CID 155840778
8-[(5-propylfuran-2-yl)methyl]-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70780907
1-methyl-9-[[(3R)-oxolan-3-yl]methyl]-4-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97495778
(6R)-8-(5-methyl-2-pyridinyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95870080

Frequently Asked Questions

What is the IUPAC name of 9-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 97144814) is 9-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCN(C[C@@H]3COCCO3)CC2)CN1Cc1cccnc1.
What is the InChIKey of 9-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is FCTSVGDFKZUNSH-GOSISDBHSA-N. The full InChI is InChI=1S/C20H29N3O3/c24-19-3-4-20(16-23(19)13-17-2-1-7-21-12-17)5-8-22(9-6-20)14-18-15-25-10-11-26-18/h1-2,7,12,18H,3-6,8-11,13-16H2/t18-/m1/s1.
What are the key properties of 9-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
9-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 359.47 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97144814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).