(4S)-2-methyl-8-(morpholine-4-carbonyl)-4-phenyl-2,8-diazaspiro[4.5]decan-1-one

C20H27N3O3 — CID 97452819

IUPAC(4S)-2-methyl-8-(morpholine-4-carbonyl)-4-phenyl-2,8-diazaspiro[4.5]decan-1-one
SMILESCN1C[C@@H](c2ccccc2)C2(CCN(C(=O)N3CCOCC3)CC2)C1=O
InChIInChI=1S/C20H27N3O3/c1-21-15-17(16-5-3-2-4-6-16)20(18(21)24)7-9-22(10-8-20)19(25)23-11-13-26-14-12-23/h2-6,17H,7-15H2,1H3/t17-/m0/s1
InChIKeyASMFKANHLCLVHP-KRWDZBQOSA-N
MW357.45 g/mol
LogP1.78
Rot. Bonds1

About (4S)-2-methyl-8-(morpholine-4-carbonyl)-4-phenyl-2,8-diazaspiro[4.5]decan-1-one

(4S)-2-methyl-8-(morpholine-4-carbonyl)-4-phenyl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 97452819) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is (4S)-2-methyl-8-(morpholine-4-carbonyl)-4-phenyl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(4S)-2-methyl-8-(morpholine-4-carbonyl)-4-phenyl-2,8-diazaspiro[4.5]decan-1-one
PubChem CID97452819
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name(4S)-2-methyl-8-(morpholine-4-carbonyl)-4-phenyl-2,8-diazaspiro[4.5]decan-1-one
SMILESCN1C[C@@H](c2ccccc2)C2(CCN(C(=O)N3CCOCC3)CC2)C1=O
InChIInChI=1S/C20H27N3O3/c1-21-15-17(16-5-3-2-4-6-16)20(18(21)24)7-9-22(10-8-20)19(25)23-11-13-26-14-12-23/h2-6,17H,7-15H2,1H3/t17-/m0/s1
InChIKeyASMFKANHLCLVHP-KRWDZBQOSA-N
XLogP1.78
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R,5S)-2-methyl-7-[(3S)-oxolane-3-carbonyl]-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 98777017
(4S)-2-methyl-8-(1-methylpyrrole-2-carbonyl)-4-phenyl-2,8-diazaspiro[4.5]decan-1-one
CID 97452812
[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-morpholin-4-ylmethanone
CID 97453778
2-methyl-7-(1-methyl-1,2,4-triazole-3-carbonyl)-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 131681723
morpholin-4-yl-(4-phenylpiperidin-1-yl)methanone
CID 67308530
8-(morpholine-4-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 134074619
morpholin-4-yl-(2-phenylmorpholin-4-yl)methanone
CID 110291317
[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-morpholin-4-ylmethanone
CID 97110511
(5R,9S)-2-methyl-7-(oxolan-3-yl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 134690512
8-(furan-2-ylmethyl)-2-methyl-4-phenyl-2,8-diazaspiro[4.5]decan-1-one
CID 131662088
2-methyl-7-[2-(1-methylpyrazol-3-yl)acetyl]-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 131679626
(5S,9S)-2-methyl-9-phenyl-7-(pyridine-4-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97471880

Frequently Asked Questions

What is the IUPAC name of (4S)-2-methyl-8-(morpholine-4-carbonyl)-4-phenyl-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of (4S)-2-methyl-8-(morpholine-4-carbonyl)-4-phenyl-2,8-diazaspiro[4.5]decan-1-one (CID 97452819) is (4S)-2-methyl-8-(morpholine-4-carbonyl)-4-phenyl-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for (4S)-2-methyl-8-(morpholine-4-carbonyl)-4-phenyl-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for (4S)-2-methyl-8-(morpholine-4-carbonyl)-4-phenyl-2,8-diazaspiro[4.5]decan-1-one is CN1C[C@@H](c2ccccc2)C2(CCN(C(=O)N3CCOCC3)CC2)C1=O.
What is the InChIKey of (4S)-2-methyl-8-(morpholine-4-carbonyl)-4-phenyl-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is ASMFKANHLCLVHP-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-21-15-17(16-5-3-2-4-6-16)20(18(21)24)7-9-22(10-8-20)19(25)23-11-13-26-14-12-23/h2-6,17H,7-15H2,1H3/t17-/m0/s1.
What are the key properties of (4S)-2-methyl-8-(morpholine-4-carbonyl)-4-phenyl-2,8-diazaspiro[4.5]decan-1-one?
(4S)-2-methyl-8-(morpholine-4-carbonyl)-4-phenyl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 357.45 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-methyl-8-(morpholine-4-carbonyl)-4-phenyl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97452819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).