N-(3-hydroxy-4-methylpentyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

C19H28N2O3 — CID 111461259

IUPACN-(3-hydroxy-4-methylpentyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESCC(C)C(O)CCNC(=O)C(c1ccccc1)N1CCCCC1=O
InChIInChI=1S/C19H28N2O3/c1-14(2)16(22)11-12-20-19(24)18(15-8-4-3-5-9-15)21-13-7-6-10-17(21)23/h3-5,8-9,14,16,18,22H,6-7,10-13H2,1-2H3,(H,20,24)
InChIKeyCHWASSYGQLWLLQ-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.26
Rot. Bonds7

About N-(3-hydroxy-4-methylpentyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

N-(3-hydroxy-4-methylpentyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (PubChem CID 111461259) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-(3-hydroxy-4-methylpentyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methylpentyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
PubChem CID111461259
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-(3-hydroxy-4-methylpentyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESCC(C)C(O)CCNC(=O)C(c1ccccc1)N1CCCCC1=O
InChIInChI=1S/C19H28N2O3/c1-14(2)16(22)11-12-20-19(24)18(15-8-4-3-5-9-15)21-13-7-6-10-17(21)23/h3-5,8-9,14,16,18,22H,6-7,10-13H2,1-2H3,(H,20,24)
InChIKeyCHWASSYGQLWLLQ-UHFFFAOYSA-N
XLogP2.26
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide;hydrochloride
CID 119406812
N-(3-cyclopentylpropyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56577591
N-(cyclopropylmethyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56515214
N-[2-(3,5-dimethylphenoxy)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56513328
N-(3-hydroxy-4-methylpentyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 111461395
N-methyl-2-(2-oxopyrrolidin-1-yl)-2-phenylacetamide
CID 123551367
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide
CID 56574475
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-[2-(3-bromo-4-fluorophenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56505972
N-(4-methyl-4-phenylpentan-2-yl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56504942
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56538470

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methylpentyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The IUPAC name of N-(3-hydroxy-4-methylpentyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (CID 111461259) is N-(3-hydroxy-4-methylpentyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.
What is the SMILES notation for N-(3-hydroxy-4-methylpentyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The canonical SMILES for N-(3-hydroxy-4-methylpentyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is CC(C)C(O)CCNC(=O)C(c1ccccc1)N1CCCCC1=O.
What is the InChIKey of N-(3-hydroxy-4-methylpentyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The InChIKey is CHWASSYGQLWLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-14(2)16(22)11-12-20-19(24)18(15-8-4-3-5-9-15)21-13-7-6-10-17(21)23/h3-5,8-9,14,16,18,22H,6-7,10-13H2,1-2H3,(H,20,24).
What are the key properties of N-(3-hydroxy-4-methylpentyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
N-(3-hydroxy-4-methylpentyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide has a molecular weight of 332.44 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methylpentyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is sourced from PubChem (CID 111461259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).