N-[[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide

C16H24N2O3 — CID 103917998

IUPACN-[[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
SMILESCOc1ccc(O)c(CN2CCC(CNC(C)=O)CC2)c1
InChIInChI=1S/C16H24N2O3/c1-12(19)17-10-13-5-7-18(8-6-13)11-14-9-15(21-2)3-4-16(14)20/h3-4,9,13,20H,5-8,10-11H2,1-2H3,(H,17,19)
InChIKeyNQZRNDPJCOFVLR-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.75
Rot. Bonds5

About N-[[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide

N-[[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide (PubChem CID 103917998) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
PubChem CID103917998
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
SMILESCOc1ccc(O)c(CN2CCC(CNC(C)=O)CC2)c1
InChIInChI=1S/C16H24N2O3/c1-12(19)17-10-13-5-7-18(8-6-13)11-14-9-15(21-2)3-4-16(14)20/h3-4,9,13,20H,5-8,10-11H2,1-2H3,(H,17,19)
InChIKeyNQZRNDPJCOFVLR-UHFFFAOYSA-N
XLogP1.75
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[[1-[(5-amino-2-hydroxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 102736031
4-methoxy-2-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenol
CID 82981208
2-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]oxyacetic acid
CID 65065719
2-[(3-ethylpyrrolidin-1-yl)methyl]-4-methoxyphenol
CID 113351697
2-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-4-methoxyphenol
CID 55217645
4-methoxy-2-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenol
CID 61205073
2-[4-[(2-hydroxy-5-methoxyphenyl)methyl]-1,4-diazepan-1-yl]acetic acid
CID 65061405
N-[[1-[(2-bromophenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 113223431
4-methoxy-2-[(4-propylpiperazin-1-yl)methyl]phenol
CID 82975290
4-methoxy-2-(1,4,7-triazonan-1-ylmethyl)phenol
CID 165144364
N-[[1-[[2-(hydrazinecarbonyl)thiophen-3-yl]methyl]piperidin-4-yl]methyl]acetamide
CID 102737029
N-[[(3S)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 95229107

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide (CID 103917998) is N-[[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide is COc1ccc(O)c(CN2CCC(CNC(C)=O)CC2)c1.
What is the InChIKey of N-[[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is NQZRNDPJCOFVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12(19)17-10-13-5-7-18(8-6-13)11-14-9-15(21-2)3-4-16(14)20/h3-4,9,13,20H,5-8,10-11H2,1-2H3,(H,17,19).
What are the key properties of N-[[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide?
N-[[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 292.38 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 103917998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).