(3S)-3-benzyl-8-(6-methoxypyridine-3-carbonyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one

C26H33N3O3 — CID 124973475

IUPAC(3S)-3-benzyl-8-(6-methoxypyridine-3-carbonyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCOc1ccc(C(=O)N2CCC3(CC2)C[C@H](Cc2ccccc2)N(CC(C)C)C3=O)cn1
InChIInChI=1S/C26H33N3O3/c1-19(2)18-29-22(15-20-7-5-4-6-8-20)16-26(25(29)31)11-13-28(14-12-26)24(30)21-9-10-23(32-3)27-17-21/h4-10,17,19,22H,11-16,18H2,1-3H3/t22-/m0/s1
InChIKeyKKGSYJGSGNXKPC-QFIPXVFZSA-N
MW435.57 g/mol
LogP3.81
Rot. Bonds6

About (3S)-3-benzyl-8-(6-methoxypyridine-3-carbonyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one

(3S)-3-benzyl-8-(6-methoxypyridine-3-carbonyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 124973475) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is (3S)-3-benzyl-8-(6-methoxypyridine-3-carbonyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(3S)-3-benzyl-8-(6-methoxypyridine-3-carbonyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID124973475
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC Name(3S)-3-benzyl-8-(6-methoxypyridine-3-carbonyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCOc1ccc(C(=O)N2CCC3(CC2)C[C@H](Cc2ccccc2)N(CC(C)C)C3=O)cn1
InChIInChI=1S/C26H33N3O3/c1-19(2)18-29-22(15-20-7-5-4-6-8-20)16-26(25(29)31)11-13-28(14-12-26)24(30)21-9-10-23(32-3)27-17-21/h4-10,17,19,22H,11-16,18H2,1-3H3/t22-/m0/s1
InChIKeyKKGSYJGSGNXKPC-QFIPXVFZSA-N
XLogP3.81
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(3S)-3-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]phenoxy]acetic acid
CID 125009265
(3S)-3-benzyl-8-(2-methoxybenzoyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one
CID 124993642
(3R)-3-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)-8-[2-(2-oxopyrimidin-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-1-one
CID 124945388
3-benzyl-2-methyl-8-(1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 110138708
(10R,11S)-3-benzyl-10,11-dihydroxy-14-(6-methoxypyridine-3-carbonyl)-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one
CID 155993169
(6-phenyl-3-azabicyclo[4.1.0]heptan-3-yl)-(6-propan-2-yloxy-3-pyridinyl)methanone
CID 87055846
2-[(3S)-3-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide
CID 124948028
(3S)-3-benzyl-2-methyl-8-[2-(pyrrolidin-1-ylmethyl)benzoyl]-2,8-diazaspiro[4.5]decan-1-one
CID 129455594
3-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one
CID 175662858
(3,3-difluoroazetidin-1-yl)-(6-methoxy-3-pyridinyl)methanone
CID 122269367
(6-methoxy-3-pyridinyl)-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone
CID 53185123
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 79410382

Frequently Asked Questions

What is the IUPAC name of (3S)-3-benzyl-8-(6-methoxypyridine-3-carbonyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of (3S)-3-benzyl-8-(6-methoxypyridine-3-carbonyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one (CID 124973475) is (3S)-3-benzyl-8-(6-methoxypyridine-3-carbonyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for (3S)-3-benzyl-8-(6-methoxypyridine-3-carbonyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for (3S)-3-benzyl-8-(6-methoxypyridine-3-carbonyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one is COc1ccc(C(=O)N2CCC3(CC2)C[C@H](Cc2ccccc2)N(CC(C)C)C3=O)cn1.
What is the InChIKey of (3S)-3-benzyl-8-(6-methoxypyridine-3-carbonyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is KKGSYJGSGNXKPC-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-19(2)18-29-22(15-20-7-5-4-6-8-20)16-26(25(29)31)11-13-28(14-12-26)24(30)21-9-10-23(32-3)27-17-21/h4-10,17,19,22H,11-16,18H2,1-3H3/t22-/m0/s1.
What are the key properties of (3S)-3-benzyl-8-(6-methoxypyridine-3-carbonyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one?
(3S)-3-benzyl-8-(6-methoxypyridine-3-carbonyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 435.57 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-benzyl-8-(6-methoxypyridine-3-carbonyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 124973475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).