N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-4-carboxamide

C16H24N2O4 — CID 119287242

IUPACN-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-4-carboxamide
SMILESCOc1ccc(OC)c(C(O)CNC(=O)C2CCNCC2)c1
InChIInChI=1S/C16H24N2O4/c1-21-12-3-4-15(22-2)13(9-12)14(19)10-18-16(20)11-5-7-17-8-6-11/h3-4,9,11,14,17,19H,5-8,10H2,1-2H3,(H,18,20)
InChIKeyMNHMSXSENPXCHG-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.85
Rot. Bonds6

About N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-4-carboxamide

N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-4-carboxamide (PubChem CID 119287242) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-4-carboxamide
PubChem CID119287242
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC NameN-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-4-carboxamide
SMILESCOc1ccc(OC)c(C(O)CNC(=O)C2CCNCC2)c1
InChIInChI=1S/C16H24N2O4/c1-21-12-3-4-15(22-2)13(9-12)14(19)10-18-16(20)11-5-7-17-8-6-11/h3-4,9,11,14,17,19H,5-8,10H2,1-2H3,(H,18,20)
InChIKeyMNHMSXSENPXCHG-UHFFFAOYSA-N
XLogP0.85
TPSA79.82 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 ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-3-carboxamide
CID 119287258
N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 119293173
2-bromo-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide
CID 139669776
1-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]cyclopropane-1-carboxamide
CID 119719575
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 60508847
(2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]propanamide;hydrochloride
CID 119287235
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55654108
1-(2,5-dimethoxyphenyl)-2-pyrrolidin-2-ylethanol
CID 79559655
2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide;2,3-dihydroxybutanedioic acid
CID 138544619
N-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-phenylcyclopropane-1-carboxamide
CID 95382656
N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide;hydrochloride
CID 119323089
(2S,4S)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120623267

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-4-carboxamide (CID 119287242) is N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-4-carboxamide is COc1ccc(OC)c(C(O)CNC(=O)C2CCNCC2)c1.
What is the InChIKey of N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-4-carboxamide?
The InChIKey is MNHMSXSENPXCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-21-12-3-4-15(22-2)13(9-12)14(19)10-18-16(20)11-5-7-17-8-6-11/h3-4,9,11,14,17,19H,5-8,10H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-4-carboxamide?
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-4-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 0.85, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-4-carboxamide is sourced from PubChem (CID 119287242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).