N-(4-tert-butylphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide

C18H26N2O3 — CID 110901737

IUPACN-(4-tert-butylphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide
SMILESCC(C)(C)c1ccc(NC(=O)C(=O)N2CCC(CO)CC2)cc1
InChIInChI=1S/C18H26N2O3/c1-18(2,3)14-4-6-15(7-5-14)19-16(22)17(23)20-10-8-13(12-21)9-11-20/h4-7,13,21H,8-12H2,1-3H3,(H,19,22)
InChIKeyXTPGZNJVQXAVTP-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.15
Rot. Bonds2

About N-(4-tert-butylphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide

N-(4-tert-butylphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide (PubChem CID 110901737) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide
PubChem CID110901737
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-(4-tert-butylphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide
SMILESCC(C)(C)c1ccc(NC(=O)C(=O)N2CCC(CO)CC2)cc1
InChIInChI=1S/C18H26N2O3/c1-18(2,3)14-4-6-15(7-5-14)19-16(22)17(23)20-10-8-13(12-21)9-11-20/h4-7,13,21H,8-12H2,1-3H3,(H,19,22)
InChIKeyXTPGZNJVQXAVTP-UHFFFAOYSA-N
XLogP2.15
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(4-benzylpiperidin-1-yl)-N-(4-tert-butylphenyl)-2-oxoacetamide
CID 108507060
N-(4-bromophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide
CID 47345433
N-(4-tert-butylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide
CID 108522878
N-(3-chloro-4-methylphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide
CID 110901727
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-N-(4-phenylphenyl)acetamide
CID 111798598
N-[4-(2-cyanopropan-2-yl)phenyl]-2-(4-methoxypiperidin-1-yl)-2-oxoacetamide
CID 87040040
N-(2,4-dimethylphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide
CID 110901731
tert-butyl N-[4-[[2-(4-benzylpiperidin-1-yl)-2-oxoacetyl]amino]phenyl]carbamate
CID 69100254
N-(3,4-dichlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoacetamide
CID 111798594
N-(4-tert-butylphenyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 110754677
N-(4-ethylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide
CID 111797796
N-[4-(benzylamino)phenyl]-2-(4-benzylpiperidin-1-yl)-2-oxoacetamide
CID 69100099

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide (CID 110901737) is N-(4-tert-butylphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide is CC(C)(C)c1ccc(NC(=O)C(=O)N2CCC(CO)CC2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide?
The InChIKey is XTPGZNJVQXAVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-18(2,3)14-4-6-15(7-5-14)19-16(22)17(23)20-10-8-13(12-21)9-11-20/h4-7,13,21H,8-12H2,1-3H3,(H,19,22).
What are the key properties of N-(4-tert-butylphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide?
N-(4-tert-butylphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide has a molecular weight of 318.42 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 110901737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).