N-[(3S,4S)-4-(hydroxymethyl)-1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-2-methoxyacetamide

C16H24N2O4 — CID 91910022

IUPACN-[(3S,4S)-4-(hydroxymethyl)-1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@@H]1CN(Cc2ccc(O)cc2)CC[C@@H]1CO
InChIInChI=1S/C16H24N2O4/c1-22-11-16(21)17-15-9-18(7-6-13(15)10-19)8-12-2-4-14(20)5-3-12/h2-5,13,15,19-20H,6-11H2,1H3,(H,17,21)/t13-,15-/m1/s1
InChIKeyUYIADZRCQNXQLD-UKRRQHHQSA-N
MW308.38 g/mol
LogP0.34
Rot. Bonds6

About N-[(3S,4S)-4-(hydroxymethyl)-1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-2-methoxyacetamide

N-[(3S,4S)-4-(hydroxymethyl)-1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-2-methoxyacetamide (PubChem CID 91910022) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[(3S,4S)-4-(hydroxymethyl)-1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-(hydroxymethyl)-1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-2-methoxyacetamide
PubChem CID91910022
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC NameN-[(3S,4S)-4-(hydroxymethyl)-1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@@H]1CN(Cc2ccc(O)cc2)CC[C@@H]1CO
InChIInChI=1S/C16H24N2O4/c1-22-11-16(21)17-15-9-18(7-6-13(15)10-19)8-12-2-4-14(20)5-3-12/h2-5,13,15,19-20H,6-11H2,1H3,(H,17,21)/t13-,15-/m1/s1
InChIKeyUYIADZRCQNXQLD-UKRRQHHQSA-N
XLogP0.34
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4,5-dihydroxy-6-(hydroxymethyl)-1-(7-{[(4-methoxyphenyl)methyl]amino}heptyl)piperidin-3-yl]acetamide, 3
CID 50997771
O-Desmethyl-p-hydroxylacosamide
CID 156596630
p-Hydroxylacosamide
CID 169502157
9-[2-(4-Hydroxyphenyl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 13061734
Hydroxy-lacosamide
CID 131770049
N-[(3S,5S)-1-[(4-ethoxyphenyl)methyl]-5-(hydroxymethyl)pyrrolidin-3-yl]-2-methoxyacetamide
CID 71687120
N-{[3-(Dimethylamino)-1-[(4-methoxyphenyl)methyl]piperidin-4-YL]methyl}-2-methoxyacetamide
CID 91920973
(4aS,9aS)-4-[(4-hydroxyphenyl)methyl]-7-[(3-methylphenyl)methyl]-4a,5,6,8,9,9a-hexahydro-[1,4]oxazino[2,3-d]azepin-3-one
CID 134805858
N-[1-[(4-hydroxyphenyl)methyl]-4-(2-methoxyethyl)piperidin-4-yl]oxane-4-carboxamide
CID 124075610
1-[2-[[(2-Fluoro-4-hydroxyphenyl)methylamino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-hydroxyethanone
CID 71011103
2-Fluoro-4-[[2-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
CID 156743473
1-cyclopropyl-3-[(2-fluoro-4-hydroxyphenyl)methyl]-1-[(3R)-1-(2-hydroxyacetyl)piperidin-3-yl]urea
CID 165119607

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-(hydroxymethyl)-1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-2-methoxyacetamide?
The IUPAC name of N-[(3S,4S)-4-(hydroxymethyl)-1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-2-methoxyacetamide (CID 91910022) is N-[(3S,4S)-4-(hydroxymethyl)-1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[(3S,4S)-4-(hydroxymethyl)-1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-2-methoxyacetamide?
The canonical SMILES for N-[(3S,4S)-4-(hydroxymethyl)-1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-2-methoxyacetamide is COCC(=O)N[C@@H]1CN(Cc2ccc(O)cc2)CC[C@@H]1CO.
What is the InChIKey of N-[(3S,4S)-4-(hydroxymethyl)-1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-2-methoxyacetamide?
The InChIKey is UYIADZRCQNXQLD-UKRRQHHQSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-22-11-16(21)17-15-9-18(7-6-13(15)10-19)8-12-2-4-14(20)5-3-12/h2-5,13,15,19-20H,6-11H2,1H3,(H,17,21)/t13-,15-/m1/s1.
What are the key properties of N-[(3S,4S)-4-(hydroxymethyl)-1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-2-methoxyacetamide?
N-[(3S,4S)-4-(hydroxymethyl)-1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-2-methoxyacetamide has a molecular weight of 308.38 g/mol, XLogP of 0.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-(hydroxymethyl)-1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-2-methoxyacetamide is sourced from PubChem (CID 91910022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).