N-[[1-[(5-amino-2-hydroxyphenyl)methyl]piperidin-4-yl]methyl]acetamide

C15H23N3O2 — CID 102736031

IUPACN-[[1-[(5-amino-2-hydroxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(Cc2cc(N)ccc2O)CC1
InChIInChI=1S/C15H23N3O2/c1-11(19)17-9-12-4-6-18(7-5-12)10-13-8-14(16)2-3-15(13)20/h2-3,8,12,20H,4-7,9-10,16H2,1H3,(H,17,19)
InChIKeyCBCKFSDUGABCGU-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.32
Rot. Bonds4

About N-[[1-[(5-amino-2-hydroxyphenyl)methyl]piperidin-4-yl]methyl]acetamide

N-[[1-[(5-amino-2-hydroxyphenyl)methyl]piperidin-4-yl]methyl]acetamide (PubChem CID 102736031) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[[1-[(5-amino-2-hydroxyphenyl)methyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[(5-amino-2-hydroxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
PubChem CID102736031
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[[1-[(5-amino-2-hydroxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(Cc2cc(N)ccc2O)CC1
InChIInChI=1S/C15H23N3O2/c1-11(19)17-9-12-4-6-18(7-5-12)10-13-8-14(16)2-3-15(13)20/h2-3,8,12,20H,4-7,9-10,16H2,1H3,(H,17,19)
InChIKeyCBCKFSDUGABCGU-UHFFFAOYSA-N
XLogP1.32
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 103917998
1-[4-[(5-amino-2-hydroxyphenyl)methyl]piperazin-1-yl]ethanone
CID 43375641
N-[[1-[(3-amino-2-methylphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 102736075
4-[[4-(acetamidomethyl)piperidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid
CID 102736546
N-[[1-[(2-bromophenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 113223431
N-[[1-[[2-(hydrazinecarbonyl)thiophen-3-yl]methyl]piperidin-4-yl]methyl]acetamide
CID 102737029
4-amino-2-(azetidin-1-ylmethyl)phenol
CID 130546739
1-[4-[(5-amino-2-hydroxyphenyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 55004194
4-amino-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenol
CID 106586086
tert-butyl 4-[(5-amino-2-hydroxyphenyl)methyl]piperazine-1-carboxylate
CID 104933485
N-[[1-[(2-hydrazinyl-4-pyridinyl)methyl]piperidin-4-yl]methyl]acetamide
CID 102736984
4-amino-2-[[4-(2,2-dimethoxyethyl)piperazin-1-yl]methyl]phenol
CID 155403079

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-amino-2-hydroxyphenyl)methyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-[(5-amino-2-hydroxyphenyl)methyl]piperidin-4-yl]methyl]acetamide (CID 102736031) is N-[[1-[(5-amino-2-hydroxyphenyl)methyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[(5-amino-2-hydroxyphenyl)methyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[(5-amino-2-hydroxyphenyl)methyl]piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(Cc2cc(N)ccc2O)CC1.
What is the InChIKey of N-[[1-[(5-amino-2-hydroxyphenyl)methyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is CBCKFSDUGABCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11(19)17-9-12-4-6-18(7-5-12)10-13-8-14(16)2-3-15(13)20/h2-3,8,12,20H,4-7,9-10,16H2,1H3,(H,17,19).
What are the key properties of N-[[1-[(5-amino-2-hydroxyphenyl)methyl]piperidin-4-yl]methyl]acetamide?
N-[[1-[(5-amino-2-hydroxyphenyl)methyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 277.37 g/mol, XLogP of 1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-amino-2-hydroxyphenyl)methyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 102736031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).