2-(4-benzylpiperidin-1-yl)-N-(1-hydroxybutan-2-yl)-2-oxoacetamide

C18H26N2O3 — CID 108507028

IUPAC2-(4-benzylpiperidin-1-yl)-N-(1-hydroxybutan-2-yl)-2-oxoacetamide
SMILESCCC(CO)NC(=O)C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C18H26N2O3/c1-2-16(13-21)19-17(22)18(23)20-10-8-15(9-11-20)12-14-6-4-3-5-7-14/h3-7,15-16,21H,2,8-13H2,1H3,(H,19,22)
InChIKeyQFVMPONDDYIFSJ-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.35
Rot. Bonds5

About 2-(4-benzylpiperidin-1-yl)-N-(1-hydroxybutan-2-yl)-2-oxoacetamide

2-(4-benzylpiperidin-1-yl)-N-(1-hydroxybutan-2-yl)-2-oxoacetamide (PubChem CID 108507028) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-N-(1-hydroxybutan-2-yl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-N-(1-hydroxybutan-2-yl)-2-oxoacetamide
PubChem CID108507028
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name2-(4-benzylpiperidin-1-yl)-N-(1-hydroxybutan-2-yl)-2-oxoacetamide
SMILESCCC(CO)NC(=O)C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C18H26N2O3/c1-2-16(13-21)19-17(22)18(23)20-10-8-15(9-11-20)12-14-6-4-3-5-7-14/h3-7,15-16,21H,2,8-13H2,1H3,(H,19,22)
InChIKeyQFVMPONDDYIFSJ-UHFFFAOYSA-N
XLogP1.35
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.35
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

N-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-2-ethylbutanamide
CID 110348046
2-(4-benzylpiperidin-1-yl)-N-(2-chloroethyl)-2-oxoacetamide
CID 108506967
1-(4-benzylpiperidin-1-yl)-2-bromobutan-1-one
CID 25219771
N-(4-anilinophenyl)-2-(4-benzylpiperidin-1-yl)-2-oxoacetamide
CID 108507023
2-(4-benzylpiperidin-1-yl)-N-(4-tert-butylphenyl)-2-oxoacetamide
CID 108507060
(2S,3S)-2-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]amino]-3-methylpentanoic acid
CID 122099788
2-(4-benzylpiperidin-1-yl)-N-(2,3-dimethylphenyl)-2-oxoacetamide
CID 44902552
1-(4-benzylpiperidin-1-yl)-2-(3,5-dimethylpiperidin-1-yl)ethane-1,2-dione
CID 108506992
N-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]acetamide
CID 78780530
3-(4-benzylpiperidin-1-yl)-3-oxo-N-propan-2-ylpropanamide
CID 108940852
ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633
N-[4-(benzylamino)phenyl]-2-(4-benzylpiperidin-1-yl)-2-oxoacetamide
CID 69100099

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-(1-hydroxybutan-2-yl)-2-oxoacetamide?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-(1-hydroxybutan-2-yl)-2-oxoacetamide (CID 108507028) is 2-(4-benzylpiperidin-1-yl)-N-(1-hydroxybutan-2-yl)-2-oxoacetamide.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-N-(1-hydroxybutan-2-yl)-2-oxoacetamide?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-N-(1-hydroxybutan-2-yl)-2-oxoacetamide is CCC(CO)NC(=O)C(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-N-(1-hydroxybutan-2-yl)-2-oxoacetamide?
The InChIKey is QFVMPONDDYIFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-2-16(13-21)19-17(22)18(23)20-10-8-15(9-11-20)12-14-6-4-3-5-7-14/h3-7,15-16,21H,2,8-13H2,1H3,(H,19,22).
What are the key properties of 2-(4-benzylpiperidin-1-yl)-N-(1-hydroxybutan-2-yl)-2-oxoacetamide?
2-(4-benzylpiperidin-1-yl)-N-(1-hydroxybutan-2-yl)-2-oxoacetamide has a molecular weight of 318.42 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-N-(1-hydroxybutan-2-yl)-2-oxoacetamide is sourced from PubChem (CID 108507028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).