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

C22H27N3O2 — CID 97205646

IUPAC(3S)-3-phenyl-8-(1-propan-2-ylpyrrole-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCC(C)n1cccc1C(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N2
InChIInChI=1S/C22H27N3O2/c1-16(2)25-12-6-9-19(25)21(27)24-13-10-22(11-14-24)15-18(20(26)23-22)17-7-4-3-5-8-17/h3-9,12,16,18H,10-11,13-15H2,1-2H3,(H,23,26)/t18-/m0/s1
InChIKeyBPJOVXKTQFVTDV-SFHVURJKSA-N
MW365.48 g/mol
LogP3.35
Rot. Bonds3

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

(3S)-3-phenyl-8-(1-propan-2-ylpyrrole-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97205646) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is (3S)-3-phenyl-8-(1-propan-2-ylpyrrole-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(3S)-3-phenyl-8-(1-propan-2-ylpyrrole-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97205646
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name(3S)-3-phenyl-8-(1-propan-2-ylpyrrole-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCC(C)n1cccc1C(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N2
InChIInChI=1S/C22H27N3O2/c1-16(2)25-12-6-9-19(25)21(27)24-13-10-22(11-14-24)15-18(20(26)23-22)17-7-4-3-5-8-17/h3-9,12,16,18H,10-11,13-15H2,1-2H3,(H,23,26)/t18-/m0/s1
InChIKeyBPJOVXKTQFVTDV-SFHVURJKSA-N
XLogP3.35
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-(3-methylbenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 72865421
(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)-(1-propan-2-ylpyrrol-2-yl)methanone
CID 72843342
(3R)-8-(2-methylsulfanylacetyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97210266
(3R)-8-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97203710
8-benzoyl-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 134072421
8-(morpholine-4-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 134074619
(3S)-8-(2-ethylpyrimidine-5-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97190010
(3S)-8-(4-methyl-1,3-thiazole-5-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97203748
(3R)-8-(3-methoxybenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97207184
3-phenyl-8-(pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 134072386
N-cyclopropyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decane-8-carboxamide
CID 131640713
[4-methyl-4-(methylamino)piperidin-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone
CID 115304443

Frequently Asked Questions

What is the IUPAC name of (3S)-3-phenyl-8-(1-propan-2-ylpyrrole-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of (3S)-3-phenyl-8-(1-propan-2-ylpyrrole-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one (CID 97205646) is (3S)-3-phenyl-8-(1-propan-2-ylpyrrole-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (3S)-3-phenyl-8-(1-propan-2-ylpyrrole-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (3S)-3-phenyl-8-(1-propan-2-ylpyrrole-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one is CC(C)n1cccc1C(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N2.
What is the InChIKey of (3S)-3-phenyl-8-(1-propan-2-ylpyrrole-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is BPJOVXKTQFVTDV-SFHVURJKSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-16(2)25-12-6-9-19(25)21(27)24-13-10-22(11-14-24)15-18(20(26)23-22)17-7-4-3-5-8-17/h3-9,12,16,18H,10-11,13-15H2,1-2H3,(H,23,26)/t18-/m0/s1.
What are the key properties of (3S)-3-phenyl-8-(1-propan-2-ylpyrrole-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
(3S)-3-phenyl-8-(1-propan-2-ylpyrrole-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 365.48 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-phenyl-8-(1-propan-2-ylpyrrole-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97205646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).