4-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-4-carboxamide;hydrochloride

C13H23ClN4O3 — CID 119728728

IUPAC4-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-4-carboxamide;hydrochloride
SMILESCOCCn1cc(NC(=O)C2(OC)CCNCC2)cn1.Cl
InChIInChI=1S/C13H22N4O3.ClH/c1-19-8-7-17-10-11(9-15-17)16-12(18)13(20-2)3-5-14-6-4-13;/h9-10,14H,3-8H2,1-2H3,(H,16,18);1H
InChIKeyLJIWTZYRZSLDFD-UHFFFAOYSA-N
MW318.81 g/mol
LogP0.66
Rot. Bonds6

About 4-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-4-carboxamide;hydrochloride

4-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119728728) has the molecular formula C13H23ClN4O3 and a molecular weight of 318.81 g/mol. Its IUPAC name is 4-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-4-carboxamide;hydrochloride
PubChem CID119728728
Molecular FormulaC13H23ClN4O3
Molecular Weight318.81 g/mol
Exact Mass318.15
IUPAC Name4-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-4-carboxamide;hydrochloride
SMILESCOCCn1cc(NC(=O)C2(OC)CCNCC2)cn1.Cl
InChIInChI=1S/C13H22N4O3.ClH/c1-19-8-7-17-10-11(9-15-17)16-12(18)13(20-2)3-5-14-6-4-13;/h9-10,14H,3-8H2,1-2H3,(H,16,18);1H
InChIKeyLJIWTZYRZSLDFD-UHFFFAOYSA-N
XLogP0.66
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-(1-phenylpyrazol-4-yl)piperidine-4-carboxamide;hydrochloride
CID 119753029
1-[(Z)-N'-hydroxycarbamimidoyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide
CID 80597322
N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119728726
2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methylcyclopentane-1-carboxamide
CID 82765458
(2R)-2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]propanamide;hydrochloride
CID 119292252
(2S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide
CID 61179722
4-methoxy-N-(4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119670964
3-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-phenylcyclobutane-1-carboxamide
CID 126833913
N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidin-4-amine
CID 61017064
N-[1-(2-methoxyethyl)pyrazol-4-yl]but-2-enamide
CID 78968035
2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methylbutanamide;hydrochloride
CID 119292257
N-(1-ethyl-6-oxo-3-pyridinyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119723774

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 4-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-4-carboxamide;hydrochloride (CID 119728728) is 4-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 4-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-4-carboxamide;hydrochloride is COCCn1cc(NC(=O)C2(OC)CCNCC2)cn1.Cl.
What is the InChIKey of 4-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is LJIWTZYRZSLDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3.ClH/c1-19-8-7-17-10-11(9-15-17)16-12(18)13(20-2)3-5-14-6-4-13;/h9-10,14H,3-8H2,1-2H3,(H,16,18);1H.
What are the key properties of 4-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-4-carboxamide;hydrochloride?
4-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 318.81 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119728728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).