N-[[(2R,5S)-1-methyl-5-[2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]methyl]acetamide

C22H33N3O3 — CID 166619967

IUPACN-[[(2R,5S)-1-methyl-5-[2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CC[C@@H](CC(=O)N2CCC(Oc3ccc(C)cc3)CC2)N1C
InChIInChI=1S/C22H33N3O3/c1-16-4-8-20(9-5-16)28-21-10-12-25(13-11-21)22(27)14-18-6-7-19(24(18)3)15-23-17(2)26/h4-5,8-9,18-19,21H,6-7,10-15H2,1-3H3,(H,23,26)/t18-,19+/m0/s1
InChIKeyNXIMSDCJSLOKHT-RBUKOAKNSA-N
MW387.52 g/mol
LogP2.35
Rot. Bonds6

About N-[[(2R,5S)-1-methyl-5-[2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]methyl]acetamide

N-[[(2R,5S)-1-methyl-5-[2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]methyl]acetamide (PubChem CID 166619967) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is N-[[(2R,5S)-1-methyl-5-[2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(2R,5S)-1-methyl-5-[2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]methyl]acetamide
PubChem CID166619967
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC NameN-[[(2R,5S)-1-methyl-5-[2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CC[C@@H](CC(=O)N2CCC(Oc3ccc(C)cc3)CC2)N1C
InChIInChI=1S/C22H33N3O3/c1-16-4-8-20(9-5-16)28-21-10-12-25(13-11-21)22(27)14-18-6-7-19(24(18)3)15-23-17(2)26/h4-5,8-9,18-19,21H,6-7,10-15H2,1-3H3,(H,23,26)/t18-,19+/m0/s1
InChIKeyNXIMSDCJSLOKHT-RBUKOAKNSA-N
XLogP2.35
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2R,5S)-1-methyl-5-[2-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]methyl]acetamide
CID 166614963
formic acid;N-[[(2R,5S)-1-methyl-5-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]methyl]acetamide
CID 171709600
N-[[(2R,5S)-1-methyl-5-[2-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-2-oxoethyl]pyrrolidin-2-yl]methyl]acetamide
CID 166623691
formic acid;N-[[(2R,5S)-5-[2-[6-(4-methoxyphenyl)-2,6-diazaspiro[3.3]heptan-2-yl]-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]acetamide
CID 171710571
(3S)-1-[4-(4-methylphenoxy)piperidin-1-yl]-3-methylsulfanylbutan-1-one
CID 124569340
4-amino-1-[4-(4-methylphenoxy)piperidin-1-yl]butan-1-one;hydrochloride
CID 119292107
N-[[(2S,5R)-5-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 171910622
2-[3-[4-(4-methylphenoxy)piperidin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 110397075
N-[[(2R,5S)-5-[2-(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]acetamide
CID 170505723
2,2-dimethyl-1-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-one
CID 90245405
1-[4-(4-methylphenoxy)piperidin-1-yl]-3-(1-methylpiperidin-3-yl)propan-1-one
CID 72883560
4-(1-acetylpiperidin-4-yl)oxybenzaldehyde
CID 23087524

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,5S)-1-methyl-5-[2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]methyl]acetamide?
The IUPAC name of N-[[(2R,5S)-1-methyl-5-[2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]methyl]acetamide (CID 166619967) is N-[[(2R,5S)-1-methyl-5-[2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[(2R,5S)-1-methyl-5-[2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[(2R,5S)-1-methyl-5-[2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]methyl]acetamide is CC(=O)NC[C@H]1CC[C@@H](CC(=O)N2CCC(Oc3ccc(C)cc3)CC2)N1C.
What is the InChIKey of N-[[(2R,5S)-1-methyl-5-[2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]methyl]acetamide?
The InChIKey is NXIMSDCJSLOKHT-RBUKOAKNSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-16-4-8-20(9-5-16)28-21-10-12-25(13-11-21)22(27)14-18-6-7-19(24(18)3)15-23-17(2)26/h4-5,8-9,18-19,21H,6-7,10-15H2,1-3H3,(H,23,26)/t18-,19+/m0/s1.
What are the key properties of N-[[(2R,5S)-1-methyl-5-[2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]methyl]acetamide?
N-[[(2R,5S)-1-methyl-5-[2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]methyl]acetamide has a molecular weight of 387.52 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,5S)-1-methyl-5-[2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]methyl]acetamide is sourced from PubChem (CID 166619967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).