(3S)-8-(2-ethylpyrimidine-5-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

C21H24N4O2 — CID 97190010

IUPAC(3S)-8-(2-ethylpyrimidine-5-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCCc1ncc(C(=O)N2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N3)cn1
InChIInChI=1S/C21H24N4O2/c1-2-18-22-13-16(14-23-18)20(27)25-10-8-21(9-11-25)12-17(19(26)24-21)15-6-4-3-5-7-15/h3-7,13-14,17H,2,8-12H2,1H3,(H,24,26)/t17-/m0/s1
InChIKeyMHKPWSRMEBUZCN-KRWDZBQOSA-N
MW364.45 g/mol
LogP2.32
Rot. Bonds3

About (3S)-8-(2-ethylpyrimidine-5-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

(3S)-8-(2-ethylpyrimidine-5-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97190010) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is (3S)-8-(2-ethylpyrimidine-5-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(3S)-8-(2-ethylpyrimidine-5-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97190010
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name(3S)-8-(2-ethylpyrimidine-5-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCCc1ncc(C(=O)N2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N3)cn1
InChIInChI=1S/C21H24N4O2/c1-2-18-22-13-16(14-23-18)20(27)25-10-8-21(9-11-25)12-17(19(26)24-21)15-6-4-3-5-7-15/h3-7,13-14,17H,2,8-12H2,1H3,(H,24,26)/t17-/m0/s1
InChIKeyMHKPWSRMEBUZCN-KRWDZBQOSA-N
XLogP2.32
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-benzoyl-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 134072421
8-(3-methylbenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 72865421
3-phenyl-8-(pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 134072386
(3R)-3-phenyl-8-(5-propyl-1H-pyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97204422
(3R)-8-(2-methylsulfanylacetyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97210266
(3R)-8-(3-methoxybenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97207184
(3S)-8-(4-methyl-1,3-thiazole-5-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97203748
(2-ethylpyrimidin-5-yl)-(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methanone
CID 72926028
(3R)-8-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97203710
(3S)-3-phenyl-8-(1-propan-2-ylpyrrole-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97205646
methyl 6-[(3R)-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carboxylate
CID 126434233
8-(morpholine-4-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 134074619

Frequently Asked Questions

What is the IUPAC name of (3S)-8-(2-ethylpyrimidine-5-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of (3S)-8-(2-ethylpyrimidine-5-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (CID 97190010) is (3S)-8-(2-ethylpyrimidine-5-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (3S)-8-(2-ethylpyrimidine-5-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (3S)-8-(2-ethylpyrimidine-5-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is CCc1ncc(C(=O)N2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N3)cn1.
What is the InChIKey of (3S)-8-(2-ethylpyrimidine-5-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is MHKPWSRMEBUZCN-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-2-18-22-13-16(14-23-18)20(27)25-10-8-21(9-11-25)12-17(19(26)24-21)15-6-4-3-5-7-15/h3-7,13-14,17H,2,8-12H2,1H3,(H,24,26)/t17-/m0/s1.
What are the key properties of (3S)-8-(2-ethylpyrimidine-5-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
(3S)-8-(2-ethylpyrimidine-5-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 364.45 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-8-(2-ethylpyrimidine-5-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97190010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).