N-[(3-hydroxy-1-methylpyrrolidin-3-yl)methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

C19H27N3O3 — CID 136531355

IUPACN-[(3-hydroxy-1-methylpyrrolidin-3-yl)methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESCN1CCC(O)(CNC(=O)C(c2ccccc2)N2CCCCC2=O)C1
InChIInChI=1S/C19H27N3O3/c1-21-12-10-19(25,14-21)13-20-18(24)17(15-7-3-2-4-8-15)22-11-6-5-9-16(22)23/h2-4,7-8,17,25H,5-6,9-14H2,1H3,(H,20,24)
InChIKeyKTQLNQDHRMOBLF-UHFFFAOYSA-N
MW345.44 g/mol
LogP0.92
Rot. Bonds5

About N-[(3-hydroxy-1-methylpyrrolidin-3-yl)methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

N-[(3-hydroxy-1-methylpyrrolidin-3-yl)methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (PubChem CID 136531355) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[(3-hydroxy-1-methylpyrrolidin-3-yl)methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-[(3-hydroxy-1-methylpyrrolidin-3-yl)methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
PubChem CID136531355
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-[(3-hydroxy-1-methylpyrrolidin-3-yl)methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESCN1CCC(O)(CNC(=O)C(c2ccccc2)N2CCCCC2=O)C1
InChIInChI=1S/C19H27N3O3/c1-21-12-10-19(25,14-21)13-20-18(24)17(15-7-3-2-4-8-15)22-11-6-5-9-16(22)23/h2-4,7-8,17,25H,5-6,9-14H2,1H3,(H,20,24)
InChIKeyKTQLNQDHRMOBLF-UHFFFAOYSA-N
XLogP0.92
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide;hydrochloride
CID 119406812
N-(cyclopropylmethyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56515214
N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56574911
N-(3-hydroxy-4-methylpentyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 111461259
N-(3-cyclopentylpropyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56577591
N-methyl-2-(2-oxopyrrolidin-1-yl)-2-phenylacetamide
CID 123551367
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 56577878
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56505818
N-(4-methyl-4-phenylpentan-2-yl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56504942
N-[2-(3,5-dimethylphenoxy)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56513328
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56538470
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide
CID 56574475

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-1-methylpyrrolidin-3-yl)methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The IUPAC name of N-[(3-hydroxy-1-methylpyrrolidin-3-yl)methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (CID 136531355) is N-[(3-hydroxy-1-methylpyrrolidin-3-yl)methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.
What is the SMILES notation for N-[(3-hydroxy-1-methylpyrrolidin-3-yl)methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The canonical SMILES for N-[(3-hydroxy-1-methylpyrrolidin-3-yl)methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is CN1CCC(O)(CNC(=O)C(c2ccccc2)N2CCCCC2=O)C1.
What is the InChIKey of N-[(3-hydroxy-1-methylpyrrolidin-3-yl)methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The InChIKey is KTQLNQDHRMOBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-21-12-10-19(25,14-21)13-20-18(24)17(15-7-3-2-4-8-15)22-11-6-5-9-16(22)23/h2-4,7-8,17,25H,5-6,9-14H2,1H3,(H,20,24).
What are the key properties of N-[(3-hydroxy-1-methylpyrrolidin-3-yl)methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
N-[(3-hydroxy-1-methylpyrrolidin-3-yl)methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide has a molecular weight of 345.44 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-1-methylpyrrolidin-3-yl)methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is sourced from PubChem (CID 136531355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).