(2S,3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxamide

C14H20N2O3 — CID 102386977

IUPAC(2S,3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxamide
SMILESCOc1ccc(CN2CCC[C@H](O)[C@H]2C(N)=O)cc1
InChIInChI=1S/C14H20N2O3/c1-19-11-6-4-10(5-7-11)9-16-8-2-3-12(17)13(16)14(15)18/h4-7,12-13,17H,2-3,8-9H2,1H3,(H2,15,18)/t12-,13-/m0/s1
InChIKeyHBBBACWUZJWIHL-STQMWFEESA-N
MW264.32 g/mol
LogP0.51
Rot. Bonds4

About (2S,3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxamide

(2S,3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxamide (PubChem CID 102386977) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (2S,3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S,3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxamide
PubChem CID102386977
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(2S,3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxamide
SMILESCOc1ccc(CN2CCC[C@H](O)[C@H]2C(N)=O)cc1
InChIInChI=1S/C14H20N2O3/c1-19-11-6-4-10(5-7-11)9-16-8-2-3-12(17)13(16)14(15)18/h4-7,12-13,17H,2-3,8-9H2,1H3,(H2,15,18)/t12-,13-/m0/s1
InChIKeyHBBBACWUZJWIHL-STQMWFEESA-N
XLogP0.51
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 7048458
methyl 1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylate
CID 113219904
2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine
CID 20895862
(4-methoxyphenyl)methyl (2R)-1-benzylpyrrolidine-2-carboxylate
CID 97063553
2-[2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]acetamide
CID 47280768
1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 140665359
[4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]phenyl]methanol
CID 110008065
1-[[4-(4-methoxyphenoxy)phenyl]methyl]piperidine-4-carboxamide
CID 75504045
1-[(4-methoxyphenyl)methyl]-2-[(E)-prop-1-enyl]pyrrolidine
CID 102449960
methyl (2R)-2-[(2R)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-2-phenylacetate
CID 52942312
(2S,3S)-1-[(6-methoxynaphthalen-2-yl)methyl]-2-methylpiperidine-3-carboxylic acid
CID 122124651
4-ethyl-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 114430849

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxamide?
The IUPAC name of (2S,3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxamide (CID 102386977) is (2S,3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S,3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxamide?
The canonical SMILES for (2S,3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxamide is COc1ccc(CN2CCC[C@H](O)[C@H]2C(N)=O)cc1.
What is the InChIKey of (2S,3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxamide?
The InChIKey is HBBBACWUZJWIHL-STQMWFEESA-N. The full InChI is InChI=1S/C14H20N2O3/c1-19-11-6-4-10(5-7-11)9-16-8-2-3-12(17)13(16)14(15)18/h4-7,12-13,17H,2-3,8-9H2,1H3,(H2,15,18)/t12-,13-/m0/s1.
What are the key properties of (2S,3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxamide?
(2S,3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 102386977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).