(4R)-4-benzyl-1-[2-(1-methyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-oxoethyl]pyrrolidin-2-one

C22H32N4O2 — CID 97270312

IUPAC(4R)-4-benzyl-1-[2-(1-methyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-oxoethyl]pyrrolidin-2-one
SMILESCN1CCN(C(=O)CN2C[C@H](Cc3ccccc3)CC2=O)CC12CCNCC2
InChIInChI=1S/C22H32N4O2/c1-24-11-12-25(17-22(24)7-9-23-10-8-22)21(28)16-26-15-19(14-20(26)27)13-18-5-3-2-4-6-18/h2-6,19,23H,7-17H2,1H3/t19-/m1/s1
InChIKeyJLQWGXWGAPLMKN-LJQANCHMSA-N
MW384.52 g/mol
LogP0.97
Rot. Bonds4

About (4R)-4-benzyl-1-[2-(1-methyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-oxoethyl]pyrrolidin-2-one

(4R)-4-benzyl-1-[2-(1-methyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-oxoethyl]pyrrolidin-2-one (PubChem CID 97270312) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is (4R)-4-benzyl-1-[2-(1-methyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-oxoethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-1-[2-(1-methyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-oxoethyl]pyrrolidin-2-one
PubChem CID97270312
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name(4R)-4-benzyl-1-[2-(1-methyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-oxoethyl]pyrrolidin-2-one
SMILESCN1CCN(C(=O)CN2C[C@H](Cc3ccccc3)CC2=O)CC12CCNCC2
InChIInChI=1S/C22H32N4O2/c1-24-11-12-25(17-22(24)7-9-23-10-8-22)21(28)16-26-15-19(14-20(26)27)13-18-5-3-2-4-6-18/h2-6,19,23H,7-17H2,1H3/t19-/m1/s1
InChIKeyJLQWGXWGAPLMKN-LJQANCHMSA-N
XLogP0.97
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-1-[2-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-oxoethyl]-4-phenylpyrrolidin-2-one
CID 97281022
4-benzyl-1-[2-(6-oxa-9-azaspiro[4.5]decan-9-yl)-2-oxoethyl]pyrrolidin-2-one
CID 72906651
ethyl 4-[2-(4-benzyl-2-oxopyrrolidin-1-yl)acetyl]piperazine-1-carboxylate
CID 72901081
2-[(4R)-4-benzyl-2-oxopyrrolidin-1-yl]-N-methyl-N-(2-phenylethyl)acetamide
CID 97280005
(6R)-10-ethyl-1-methyl-4-(3-phenylpropanoyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97152905
2-(1-methylindol-3-yl)sulfanyl-1-(1-methyl-1,4,9-triazaspiro[5.5]undecan-4-yl)ethanone;dihydrochloride
CID 154900600
2-(4-benzyl-2-oxopyrrolidin-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 72901682
2-[(4S)-4-benzyl-2-oxopyrrolidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 97279676
(4R)-4-benzyl-1-(5-fluoropentyl)pyrrolidin-2-one
CID 97273158
bis(3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-phenyl-1,3-diazaspiro[4.5]decan-4-one);3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 91223642
2-methyl-9-[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97278874
(3-benzylpyrrolidin-1-yl)-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride
CID 120622597

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-1-[2-(1-methyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-oxoethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-benzyl-1-[2-(1-methyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-oxoethyl]pyrrolidin-2-one (CID 97270312) is (4R)-4-benzyl-1-[2-(1-methyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-oxoethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-1-[2-(1-methyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-oxoethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-1-[2-(1-methyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-oxoethyl]pyrrolidin-2-one is CN1CCN(C(=O)CN2C[C@H](Cc3ccccc3)CC2=O)CC12CCNCC2.
What is the InChIKey of (4R)-4-benzyl-1-[2-(1-methyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-oxoethyl]pyrrolidin-2-one?
The InChIKey is JLQWGXWGAPLMKN-LJQANCHMSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-24-11-12-25(17-22(24)7-9-23-10-8-22)21(28)16-26-15-19(14-20(26)27)13-18-5-3-2-4-6-18/h2-6,19,23H,7-17H2,1H3/t19-/m1/s1.
What are the key properties of (4R)-4-benzyl-1-[2-(1-methyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-oxoethyl]pyrrolidin-2-one?
(4R)-4-benzyl-1-[2-(1-methyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-oxoethyl]pyrrolidin-2-one has a molecular weight of 384.52 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-1-[2-(1-methyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-oxoethyl]pyrrolidin-2-one is sourced from PubChem (CID 97270312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).