N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

C15H27ClN4O2 — CID 120624559

IUPACN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NC(C)c2cn(C)nc2C)CCNCC1.Cl
InChIInChI=1S/C15H26N4O2.ClH/c1-11(13-9-19(3)18-12(13)2)17-14(20)15(10-21-4)5-7-16-8-6-15;/h9,11,16H,5-8,10H2,1-4H3,(H,17,20);1H
InChIKeySQMRIMAOYXHJRD-UHFFFAOYSA-N
MW330.86 g/mol
LogP1.34
Rot. Bonds5

About N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120624559) has the molecular formula C15H27ClN4O2 and a molecular weight of 330.86 g/mol. Its IUPAC name is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
PubChem CID120624559
Molecular FormulaC15H27ClN4O2
Molecular Weight330.86 g/mol
Exact Mass330.18
IUPAC NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NC(C)c2cn(C)nc2C)CCNCC1.Cl
InChIInChI=1S/C15H26N4O2.ClH/c1-11(13-9-19(3)18-12(13)2)17-14(20)15(10-21-4)5-7-16-8-6-15;/h9,11,16H,5-8,10H2,1-4H3,(H,17,20);1H
InChIKeySQMRIMAOYXHJRD-UHFFFAOYSA-N
XLogP1.34
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120621945
N-[1-(2,4-dichlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120617622
N-[1-(2,4-difluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120617899
N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120634609
4-(methoxymethyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120621541
4-(methoxymethyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120636937
4-(methoxymethyl)-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide;hydrochloride
CID 120618740
N-[1-(3-fluoro-4-methylphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120637838
4-(methoxymethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
CID 120620295
N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120631267
N-[1-(3-chlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120617790
N-(1-ethylsulfanylpropan-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 114042076

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (CID 120624559) is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is COCC1(C(=O)NC(C)c2cn(C)nc2C)CCNCC1.Cl.
What is the InChIKey of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is SQMRIMAOYXHJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2.ClH/c1-11(13-9-19(3)18-12(13)2)17-14(20)15(10-21-4)5-7-16-8-6-15;/h9,11,16H,5-8,10H2,1-4H3,(H,17,20);1H.
What are the key properties of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 330.86 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120624559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).