(3R)-1-methyl-8-[2-(2-oxopyrrolidin-1-yl)ethyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

C21H29N3O2 — CID 97205793

IUPAC(3R)-1-methyl-8-[2-(2-oxopyrrolidin-1-yl)ethyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)[C@@H](c2ccccc2)CC12CCN(CCN1CCCC1=O)CC2
InChIInChI=1S/C21H29N3O2/c1-22-20(26)18(17-6-3-2-4-7-17)16-21(22)9-12-23(13-10-21)14-15-24-11-5-8-19(24)25/h2-4,6-7,18H,5,8-16H2,1H3/t18-/m1/s1
InChIKeyKNCOQFFXSJXALW-GOSISDBHSA-N
MW355.48 g/mol
LogP2.09
Rot. Bonds4

About (3R)-1-methyl-8-[2-(2-oxopyrrolidin-1-yl)ethyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

(3R)-1-methyl-8-[2-(2-oxopyrrolidin-1-yl)ethyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97205793) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is (3R)-1-methyl-8-[2-(2-oxopyrrolidin-1-yl)ethyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(3R)-1-methyl-8-[2-(2-oxopyrrolidin-1-yl)ethyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97205793
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name(3R)-1-methyl-8-[2-(2-oxopyrrolidin-1-yl)ethyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)[C@@H](c2ccccc2)CC12CCN(CCN1CCCC1=O)CC2
InChIInChI=1S/C21H29N3O2/c1-22-20(26)18(17-6-3-2-4-7-17)16-21(22)9-12-23(13-10-21)14-15-24-11-5-8-19(24)25/h2-4,6-7,18H,5,8-16H2,1H3/t18-/m1/s1
InChIKeyKNCOQFFXSJXALW-GOSISDBHSA-N
XLogP2.09
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-phenyl-8-(2-propoxyethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 72874996
8-cyclopentyl-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 72880607
1-methyl-3-phenyl-8-(2-pyrrolidin-1-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one
CID 72851229
(3S)-1-methyl-8-[(1-methylimidazol-2-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97391603
(3S)-8-(4-hydroxybenzoyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97188134
1-[(3R)-1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decane-8-carbonyl]cyclopropane-1-carboxamide
CID 97195400
(3R)-1-methyl-8-(4-methylbenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97186506
[2-[(3S)-1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]urea
CID 97201484
5-[[(3R)-1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 97199375
1-[2-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]ethyl]pyrrolidin-2-one
CID 164696726
(3aS,6R,7aS)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]-6-phenyl-3,4,5,6,7,7a-hexahydro-1H-isoindole-3a-carboxylic acid
CID 164636458
1-methyl-3-phenyl-8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131659093

Frequently Asked Questions

What is the IUPAC name of (3R)-1-methyl-8-[2-(2-oxopyrrolidin-1-yl)ethyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of (3R)-1-methyl-8-[2-(2-oxopyrrolidin-1-yl)ethyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (CID 97205793) is (3R)-1-methyl-8-[2-(2-oxopyrrolidin-1-yl)ethyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (3R)-1-methyl-8-[2-(2-oxopyrrolidin-1-yl)ethyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (3R)-1-methyl-8-[2-(2-oxopyrrolidin-1-yl)ethyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is CN1C(=O)[C@@H](c2ccccc2)CC12CCN(CCN1CCCC1=O)CC2.
What is the InChIKey of (3R)-1-methyl-8-[2-(2-oxopyrrolidin-1-yl)ethyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is KNCOQFFXSJXALW-GOSISDBHSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-22-20(26)18(17-6-3-2-4-7-17)16-21(22)9-12-23(13-10-21)14-15-24-11-5-8-19(24)25/h2-4,6-7,18H,5,8-16H2,1H3/t18-/m1/s1.
What are the key properties of (3R)-1-methyl-8-[2-(2-oxopyrrolidin-1-yl)ethyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
(3R)-1-methyl-8-[2-(2-oxopyrrolidin-1-yl)ethyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 355.48 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methyl-8-[2-(2-oxopyrrolidin-1-yl)ethyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97205793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).