(4R)-1-(2-methoxyethyl)-4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrrolidin-2-one

C16H26N4O2 — CID 125166349

IUPAC(4R)-1-(2-methoxyethyl)-4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrrolidin-2-one
SMILESCOCCN1C[C@@H](CN2CCC(c3ccn[nH]3)CC2)CC1=O
InChIInChI=1S/C16H26N4O2/c1-22-9-8-20-12-13(10-16(20)21)11-19-6-3-14(4-7-19)15-2-5-17-18-15/h2,5,13-14H,3-4,6-12H2,1H3,(H,17,18)/t13-/m1/s1
InChIKeyDDAHPUXCIPSDJP-CYBMUJFWSA-N
MW306.41 g/mol
LogP1.08
Rot. Bonds6

About (4R)-1-(2-methoxyethyl)-4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrrolidin-2-one

(4R)-1-(2-methoxyethyl)-4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrrolidin-2-one (PubChem CID 125166349) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is (4R)-1-(2-methoxyethyl)-4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(2-methoxyethyl)-4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrrolidin-2-one
PubChem CID125166349
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name(4R)-1-(2-methoxyethyl)-4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrrolidin-2-one
SMILESCOCCN1C[C@@H](CN2CCC(c3ccn[nH]3)CC2)CC1=O
InChIInChI=1S/C16H26N4O2/c1-22-9-8-20-12-13(10-16(20)21)11-19-6-3-14(4-7-19)15-2-5-17-18-15/h2,5,13-14H,3-4,6-12H2,1H3,(H,17,18)/t13-/m1/s1
InChIKeyDDAHPUXCIPSDJP-CYBMUJFWSA-N
XLogP1.08
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R)-1-(2-methoxyethyl)-4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrrolidin-2-one with MolForge

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Related Compounds

(4S)-4-[[4-(2,5-dichlorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 125169632
4-[[4-(2,3-dichlorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 118772829
(4R)-4-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 125162852
(4R)-1-(2-methoxyethyl)-4-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]pyrrolidin-2-one
CID 125160982
(4S)-4-[[3-(1H-benzimidazol-2-yl)azetidin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 125163006
2-(2-methoxyethylamino)-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 119874083
trans-tert-butyl (1R,3S)-2,2-dimethyl-3-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]cyclopropane-1-carboxylate
CID 99788196
4-(chloromethyl)-1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]pyrrolidin-2-one
CID 168506657
4-[(4,6-dimethoxypyrimidin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 91831533
(4S)-1-(2-methoxyethyl)-4-[(4-methyl-2-pyridinyl)methyl]pyrrolidin-2-one
CID 124757294
1-[3-(5-methylfuran-2-yl)butyl]-4-(1H-pyrazol-5-yl)piperidine
CID 74236751
1-(cyclohexylmethyl)-4-(2-methoxyethyl)-1,4-diazepan-5-one
CID 26316520

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(2-methoxyethyl)-4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-(2-methoxyethyl)-4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrrolidin-2-one (CID 125166349) is (4R)-1-(2-methoxyethyl)-4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(2-methoxyethyl)-4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(2-methoxyethyl)-4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrrolidin-2-one is COCCN1C[C@@H](CN2CCC(c3ccn[nH]3)CC2)CC1=O.
What is the InChIKey of (4R)-1-(2-methoxyethyl)-4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrrolidin-2-one?
The InChIKey is DDAHPUXCIPSDJP-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-22-9-8-20-12-13(10-16(20)21)11-19-6-3-14(4-7-19)15-2-5-17-18-15/h2,5,13-14H,3-4,6-12H2,1H3,(H,17,18)/t13-/m1/s1.
What are the key properties of (4R)-1-(2-methoxyethyl)-4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrrolidin-2-one?
(4R)-1-(2-methoxyethyl)-4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrrolidin-2-one has a molecular weight of 306.41 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(2-methoxyethyl)-4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 125166349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).