4-(methoxymethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride

C18H25ClN4O2 — CID 120624401

IUPAC4-(methoxymethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NCc2ccccc2-n2cccn2)CCNCC1.Cl
InChIInChI=1S/C18H24N4O2.ClH/c1-24-14-18(7-10-19-11-8-18)17(23)20-13-15-5-2-3-6-16(15)22-12-4-9-21-22;/h2-6,9,12,19H,7-8,10-11,13-14H2,1H3,(H,20,23);1H
InChIKeyDBXLFANPYKFDHK-UHFFFAOYSA-N
MW364.88 g/mol
LogP1.93
Rot. Bonds6

About 4-(methoxymethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride

4-(methoxymethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 120624401) has the molecular formula C18H25ClN4O2 and a molecular weight of 364.88 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
PubChem CID120624401
Molecular FormulaC18H25ClN4O2
Molecular Weight364.88 g/mol
Exact Mass364.17
IUPAC Name4-(methoxymethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NCc2ccccc2-n2cccn2)CCNCC1.Cl
InChIInChI=1S/C18H24N4O2.ClH/c1-24-14-18(7-10-19-11-8-18)17(23)20-13-15-5-2-3-6-16(15)22-12-4-9-21-22;/h2-6,9,12,19H,7-8,10-11,13-14H2,1H3,(H,20,23);1H
InChIKeyDBXLFANPYKFDHK-UHFFFAOYSA-N
XLogP1.93
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-(methoxymethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 129466083
4-(methoxymethyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120618108
N-[(2-bromophenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120620352
4-(methoxymethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 120641782
4-(methoxymethyl)-N-(quinolin-8-ylmethyl)piperidine-4-carboxamide
CID 120645665
N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride
CID 120645726
N-benzyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616012
4-(methoxymethyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide;dihydrochloride
CID 120615837
4-(methoxymethyl)-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120630144
4-(methoxymethyl)-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide
CID 120619785
2-amino-3-methoxy-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide
CID 81089680
4-(methoxymethyl)-N-[[2-(2-methylpropoxy)phenyl]methyl]piperidine-4-carboxamide
CID 120624410

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 4-(methoxymethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride (CID 120624401) is 4-(methoxymethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(methoxymethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(methoxymethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride is COCC1(C(=O)NCc2ccccc2-n2cccn2)CCNCC1.Cl.
What is the InChIKey of 4-(methoxymethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is DBXLFANPYKFDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2.ClH/c1-24-14-18(7-10-19-11-8-18)17(23)20-13-15-5-2-3-6-16(15)22-12-4-9-21-22;/h2-6,9,12,19H,7-8,10-11,13-14H2,1H3,(H,20,23);1H.
What are the key properties of 4-(methoxymethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
4-(methoxymethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 364.88 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120624401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).