(5R)-9-[(2S)-oxolane-2-carbonyl]-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one

C19H25N3O3 — CID 97393244

IUPAC(5R)-9-[(2S)-oxolane-2-carbonyl]-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESO=C([C@@H]1CCCO1)N1CCC[C@@]2(CCC(=O)N2Cc2ccncc2)C1
InChIInChI=1S/C19H25N3O3/c23-17-4-8-19(22(17)13-15-5-9-20-10-6-15)7-2-11-21(14-19)18(24)16-3-1-12-25-16/h5-6,9-10,16H,1-4,7-8,11-14H2/t16-,19+/m0/s1
InChIKeyZNVDPHXGLQXXMA-QFBILLFUSA-N
MW343.43 g/mol
LogP1.74
Rot. Bonds3

About (5R)-9-[(2S)-oxolane-2-carbonyl]-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one

(5R)-9-[(2S)-oxolane-2-carbonyl]-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one (PubChem CID 97393244) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is (5R)-9-[(2S)-oxolane-2-carbonyl]-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5R)-9-[(2S)-oxolane-2-carbonyl]-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
PubChem CID97393244
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name(5R)-9-[(2S)-oxolane-2-carbonyl]-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESO=C([C@@H]1CCCO1)N1CCC[C@@]2(CCC(=O)N2Cc2ccncc2)C1
InChIInChI=1S/C19H25N3O3/c23-17-4-8-19(22(17)13-15-5-9-20-10-6-15)7-2-11-21(14-19)18(24)16-3-1-12-25-16/h5-6,9-10,16H,1-4,7-8,11-14H2/t16-,19+/m0/s1
InChIKeyZNVDPHXGLQXXMA-QFBILLFUSA-N
XLogP1.74
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5R)-9-[(2S)-oxolane-2-carbonyl]-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one with MolForge

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Related Compounds

(5S)-9-[(2S)-oxolane-2-carbonyl]-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 97473214
1-benzyl-8-[(2R)-oxolane-2-carbonyl]-1,8-diazaspiro[4.5]decan-2-one
CID 97397082
N-cyclopropyl-2-oxo-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.6]undecane-9-carboxamide
CID 134070992
[(2R)-oxolan-2-yl]-[(5R)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-9-yl]methanone
CID 124803616
1-(pyridin-4-ylmethyl)-8-(pyrrolidine-1-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493882
8-(oxolane-3-carbonyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131650236
8-(cyclopent-3-ene-1-carbonyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97397081
9-(2-methylpropyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 134073846
8-(4-methylcyclohexanecarbonyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131684896
9-(cyclopropylmethyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one;bis(2,2,2-trifluoroacetic acid)
CID 155847690
8-(2,2-dimethylpropanoyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 155873107
8-(cyclopropylmethyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97372690

Frequently Asked Questions

What is the IUPAC name of (5R)-9-[(2S)-oxolane-2-carbonyl]-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of (5R)-9-[(2S)-oxolane-2-carbonyl]-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one (CID 97393244) is (5R)-9-[(2S)-oxolane-2-carbonyl]-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (5R)-9-[(2S)-oxolane-2-carbonyl]-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (5R)-9-[(2S)-oxolane-2-carbonyl]-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one is O=C([C@@H]1CCCO1)N1CCC[C@@]2(CCC(=O)N2Cc2ccncc2)C1.
What is the InChIKey of (5R)-9-[(2S)-oxolane-2-carbonyl]-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
The InChIKey is ZNVDPHXGLQXXMA-QFBILLFUSA-N. The full InChI is InChI=1S/C19H25N3O3/c23-17-4-8-19(22(17)13-15-5-9-20-10-6-15)7-2-11-21(14-19)18(24)16-3-1-12-25-16/h5-6,9-10,16H,1-4,7-8,11-14H2/t16-,19+/m0/s1.
What are the key properties of (5R)-9-[(2S)-oxolane-2-carbonyl]-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
(5R)-9-[(2S)-oxolane-2-carbonyl]-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one has a molecular weight of 343.43 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-[(2S)-oxolane-2-carbonyl]-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97393244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).