(2S)-N-[2-(3,5-dimethoxyphenyl)ethyl]-2-(hydroxymethyl)piperidine-1-carboxamide

C17H26N2O4 — CID 126428815

IUPAC(2S)-N-[2-(3,5-dimethoxyphenyl)ethyl]-2-(hydroxymethyl)piperidine-1-carboxamide
SMILESCOc1cc(CCNC(=O)N2CCCC[C@H]2CO)cc(OC)c1
InChIInChI=1S/C17H26N2O4/c1-22-15-9-13(10-16(11-15)23-2)6-7-18-17(21)19-8-4-3-5-14(19)12-20/h9-11,14,20H,3-8,12H2,1-2H3,(H,18,21)/t14-/m0/s1
InChIKeyKKBLKWJDUYLTQT-AWEZNQCLSA-N
MW322.41 g/mol
LogP1.80
Rot. Bonds6

About (2S)-N-[2-(3,5-dimethoxyphenyl)ethyl]-2-(hydroxymethyl)piperidine-1-carboxamide

(2S)-N-[2-(3,5-dimethoxyphenyl)ethyl]-2-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 126428815) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is (2S)-N-[2-(3,5-dimethoxyphenyl)ethyl]-2-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(3,5-dimethoxyphenyl)ethyl]-2-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID126428815
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name(2S)-N-[2-(3,5-dimethoxyphenyl)ethyl]-2-(hydroxymethyl)piperidine-1-carboxamide
SMILESCOc1cc(CCNC(=O)N2CCCC[C@H]2CO)cc(OC)c1
InChIInChI=1S/C17H26N2O4/c1-22-15-9-13(10-16(11-15)23-2)6-7-18-17(21)19-8-4-3-5-14(19)12-20/h9-11,14,20H,3-8,12H2,1-2H3,(H,18,21)/t14-/m0/s1
InChIKeyKKBLKWJDUYLTQT-AWEZNQCLSA-N
XLogP1.80
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(hydroxymethyl)-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide
CID 111427687
2-(2-hydroxyethyl)-N-[2-(3-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 108901080
N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-ethylpiperidine-1-carboxamide
CID 112975668
(2S)-2-(hydroxymethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 111427679
2-(hydroxymethyl)-N-propylpiperidine-1-carboxamide
CID 43574129
(2S)-N-[2-(2,4-dimethylphenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111428098
(2S)-2-(2-hydroxyethyl)-N-[2-(4-methylphenyl)ethyl]piperidine-1-carboxamide
CID 124670162
1-[2-(hydroxymethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 43421553
N-[2-(3,5-dimethoxyphenyl)ethyl]-2-ethyl-3-oxopiperazine-1-carboxamide
CID 119065569
2-(hydroxymethyl)-N-(2-pyridin-3-ylethyl)pyrrolidine-1-carboxamide
CID 111427847
(2S)-2-(hydroxymethyl)-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-1-carboxamide
CID 75464751
(2R)-2-(hydroxymethyl)-N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]pyrrolidine-1-carboxamide
CID 111619348

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(3,5-dimethoxyphenyl)ethyl]-2-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of (2S)-N-[2-(3,5-dimethoxyphenyl)ethyl]-2-(hydroxymethyl)piperidine-1-carboxamide (CID 126428815) is (2S)-N-[2-(3,5-dimethoxyphenyl)ethyl]-2-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for (2S)-N-[2-(3,5-dimethoxyphenyl)ethyl]-2-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for (2S)-N-[2-(3,5-dimethoxyphenyl)ethyl]-2-(hydroxymethyl)piperidine-1-carboxamide is COc1cc(CCNC(=O)N2CCCC[C@H]2CO)cc(OC)c1.
What is the InChIKey of (2S)-N-[2-(3,5-dimethoxyphenyl)ethyl]-2-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is KKBLKWJDUYLTQT-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-22-15-9-13(10-16(11-15)23-2)6-7-18-17(21)19-8-4-3-5-14(19)12-20/h9-11,14,20H,3-8,12H2,1-2H3,(H,18,21)/t14-/m0/s1.
What are the key properties of (2S)-N-[2-(3,5-dimethoxyphenyl)ethyl]-2-(hydroxymethyl)piperidine-1-carboxamide?
(2S)-N-[2-(3,5-dimethoxyphenyl)ethyl]-2-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(3,5-dimethoxyphenyl)ethyl]-2-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 126428815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).