N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-3-carboxamide

C16H24N2O4 — CID 119287258

IUPACN-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-3-carboxamide
SMILESCOc1ccc(OC)c(C(O)CNC(=O)C2CCCNC2)c1
InChIInChI=1S/C16H24N2O4/c1-21-12-5-6-15(22-2)13(8-12)14(19)10-18-16(20)11-4-3-7-17-9-11/h5-6,8,11,14,17,19H,3-4,7,9-10H2,1-2H3,(H,18,20)
InChIKeyNXBKNKXQUVRYFC-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.85
Rot. Bonds6

About N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-3-carboxamide

N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-3-carboxamide (PubChem CID 119287258) 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-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-3-carboxamide
PubChem CID119287258
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC NameN-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-3-carboxamide
SMILESCOc1ccc(OC)c(C(O)CNC(=O)C2CCCNC2)c1
InChIInChI=1S/C16H24N2O4/c1-21-12-5-6-15(22-2)13(8-12)14(19)10-18-16(20)11-4-3-7-17-9-11/h5-6,8,11,14,17,19H,3-4,7,9-10H2,1-2H3,(H,18,20)
InChIKeyNXBKNKXQUVRYFC-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-4-carboxamide
CID 119287242
N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-3-carboxamide;hydrochloride
CID 119287223
N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119272446
(3S)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 81140138
N-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 63362624
(3S)-N-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]piperidine-3-carboxamide
CID 124589589
N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 119293173
N-[2-(2,5-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 119705639
N-[2-(3-chlorophenoxy)propyl]piperidine-3-carboxamide;hydrochloride
CID 119336993
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55654108
2-bromo-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide
CID 139669776
N-[2-(2,4,6-trimethoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119320836

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-3-carboxamide?
The IUPAC name of N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-3-carboxamide (CID 119287258) is N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-3-carboxamide?
The canonical SMILES for N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-3-carboxamide is COc1ccc(OC)c(C(O)CNC(=O)C2CCCNC2)c1.
What is the InChIKey of N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-3-carboxamide?
The InChIKey is NXBKNKXQUVRYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-21-12-5-6-15(22-2)13(8-12)14(19)10-18-16(20)11-4-3-7-17-9-11/h5-6,8,11,14,17,19H,3-4,7,9-10H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-3-carboxamide?
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-3-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-3-carboxamide is sourced from PubChem (CID 119287258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).