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

C16H25ClN2O4 — CID 119287223

IUPACN-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-3-carboxamide;hydrochloride
SMILESCOc1cc(OC)cc(C(O)CNC(=O)C2CCCNC2)c1.Cl
InChIInChI=1S/C16H24N2O4.ClH/c1-21-13-6-12(7-14(8-13)22-2)15(19)10-18-16(20)11-4-3-5-17-9-11;/h6-8,11,15,17,19H,3-5,9-10H2,1-2H3,(H,18,20);1H
InChIKeyQFTIDPIUPCJLKJ-UHFFFAOYSA-N
MW344.84 g/mol
LogP1.27
Rot. Bonds6

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

N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119287223) has the molecular formula C16H25ClN2O4 and a molecular weight of 344.84 g/mol. Its IUPAC name is N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119287223
Molecular FormulaC16H25ClN2O4
Molecular Weight344.84 g/mol
Exact Mass344.15
IUPAC NameN-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-3-carboxamide;hydrochloride
SMILESCOc1cc(OC)cc(C(O)CNC(=O)C2CCCNC2)c1.Cl
InChIInChI=1S/C16H24N2O4.ClH/c1-21-13-6-12(7-14(8-13)22-2)15(19)10-18-16(20)11-4-3-5-17-9-11;/h6-8,11,15,17,19H,3-5,9-10H2,1-2H3,(H,18,20);1H
InChIKeyQFTIDPIUPCJLKJ-UHFFFAOYSA-N
XLogP1.27
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 51.27
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-(4-tert-butylphenyl)-2-hydroxyethyl]piperidine-3-carboxamide
CID 119328668
N-[2-(2,4,6-trimethoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119320836
(3S)-N-(2-hydroxy-2-thiophen-3-ylethyl)piperidine-3-carboxamide
CID 106435475
methyl 2-hydroxy-3-[[(3S)-piperidine-3-carbonyl]amino]propanoate
CID 107222681
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]piperidine-3-carboxamide
CID 154759784
N-[1-(4-methoxyphenyl)propyl]piperidine-3-carboxamide
CID 43708609
(3S)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 81140138
N-(2,3-dimethylbutyl)piperidine-3-carboxamide;hydrochloride
CID 119330823
N-(2-hydroxy-3-phenylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119317160
(3S)-N-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]piperidine-3-carboxamide
CID 124589589
N-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 63362624

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-3-carboxamide;hydrochloride (CID 119287223) is N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-3-carboxamide;hydrochloride is COc1cc(OC)cc(C(O)CNC(=O)C2CCCNC2)c1.Cl.
What is the InChIKey of N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is QFTIDPIUPCJLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4.ClH/c1-21-13-6-12(7-14(8-13)22-2)15(19)10-18-16(20)11-4-3-5-17-9-11;/h6-8,11,15,17,19H,3-5,9-10H2,1-2H3,(H,18,20);1H.
What are the key properties of N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-3-carboxamide;hydrochloride?
N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 344.84 g/mol, XLogP of 1.27, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119287223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).