N-[[1-(3,4-dihydroxybenzoyl)piperidin-4-yl]methyl]acetamide

C15H20N2O4 — CID 103956700

IUPACN-[[1-(3,4-dihydroxybenzoyl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(C(=O)c2ccc(O)c(O)c2)CC1
InChIInChI=1S/C15H20N2O4/c1-10(18)16-9-11-4-6-17(7-5-11)15(21)12-2-3-13(19)14(20)8-12/h2-3,8,11,19-20H,4-7,9H2,1H3,(H,16,18)
InChIKeyLXYIFHXWDZLMMB-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.09
Rot. Bonds3

About N-[[1-(3,4-dihydroxybenzoyl)piperidin-4-yl]methyl]acetamide

N-[[1-(3,4-dihydroxybenzoyl)piperidin-4-yl]methyl]acetamide (PubChem CID 103956700) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is N-[[1-(3,4-dihydroxybenzoyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(3,4-dihydroxybenzoyl)piperidin-4-yl]methyl]acetamide
PubChem CID103956700
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC NameN-[[1-(3,4-dihydroxybenzoyl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(C(=O)c2ccc(O)c(O)c2)CC1
InChIInChI=1S/C15H20N2O4/c1-10(18)16-9-11-4-6-17(7-5-11)15(21)12-2-3-13(19)14(20)8-12/h2-3,8,11,19-20H,4-7,9H2,1H3,(H,16,18)
InChIKeyLXYIFHXWDZLMMB-UHFFFAOYSA-N
XLogP1.09
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(4-amino-3-hydroxybenzoyl)piperidin-4-yl]methyl]acetamide
CID 102739429
(3,4-dihydroxyphenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 107728739
N-[[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]methyl]acetamide
CID 103754890
(3,4-dihydroxyphenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 103957455
N-[[1-[3-(aminomethyl)benzoyl]piperidin-4-yl]methyl]acetamide
CID 102735859
N-[[1-[4-(propan-2-ylcarbamoylamino)benzoyl]piperidin-4-yl]methyl]acetamide
CID 55843750
[3-(2-bromoethyl)pyrrolidin-1-yl]-(3,4-dihydroxyphenyl)methanone
CID 107729109
(3-aminopyrrolidin-1-yl)-(3,4-dihydroxyphenyl)methanone
CID 107727512
(3,4-dihydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 107728705
N-[[1-[4-[2-(diethylamino)ethoxy]benzoyl]piperidin-4-yl]methyl]acetamide
CID 51123387
[4-(1-chloroethyl)piperidin-1-yl]-(3,4-dihydroxyphenyl)methanone
CID 107729122
(4-ethylpiperidin-1-yl)-(3-hydroxy-4-methylphenyl)methanone
CID 61421459

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-dihydroxybenzoyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-(3,4-dihydroxybenzoyl)piperidin-4-yl]methyl]acetamide (CID 103956700) is N-[[1-(3,4-dihydroxybenzoyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(3,4-dihydroxybenzoyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(3,4-dihydroxybenzoyl)piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(C(=O)c2ccc(O)c(O)c2)CC1.
What is the InChIKey of N-[[1-(3,4-dihydroxybenzoyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is LXYIFHXWDZLMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10(18)16-9-11-4-6-17(7-5-11)15(21)12-2-3-13(19)14(20)8-12/h2-3,8,11,19-20H,4-7,9H2,1H3,(H,16,18).
What are the key properties of N-[[1-(3,4-dihydroxybenzoyl)piperidin-4-yl]methyl]acetamide?
N-[[1-(3,4-dihydroxybenzoyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 292.33 g/mol, XLogP of 1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-dihydroxybenzoyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 103956700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).