N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

C22H31ClN4O3 — CID 120936185

IUPACN-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCc1ccc(CNC(=O)C2(n3cccn3)CCNCC2)c(OCC2CCOC2)c1.Cl
InChIInChI=1S/C22H30N4O3.ClH/c1-17-3-4-19(20(13-17)29-16-18-5-12-28-15-18)14-24-21(27)22(6-9-23-10-7-22)26-11-2-8-25-26;/h2-4,8,11,13,18,23H,5-7,9-10,12,14-16H2,1H3,(H,24,27);1H
InChIKeyZVYYIMRZIARTFV-UHFFFAOYSA-N
MW434.97 g/mol
LogP2.42
Rot. Bonds7

About N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120936185) has the molecular formula C22H31ClN4O3 and a molecular weight of 434.97 g/mol. Its IUPAC name is N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID120936185
Molecular FormulaC22H31ClN4O3
Molecular Weight434.97 g/mol
Exact Mass434.21
IUPAC NameN-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCc1ccc(CNC(=O)C2(n3cccn3)CCNCC2)c(OCC2CCOC2)c1.Cl
InChIInChI=1S/C22H30N4O3.ClH/c1-17-3-4-19(20(13-17)29-16-18-5-12-28-15-18)14-24-21(27)22(6-9-23-10-7-22)26-11-2-8-25-26;/h2-4,8,11,13,18,23H,5-7,9-10,12,14-16H2,1H3,(H,24,27);1H
InChIKeyZVYYIMRZIARTFV-UHFFFAOYSA-N
XLogP2.42
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.97
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[[2-(cyclopropylmethoxy)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120932903
2-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]piperidine-2-carboxamide
CID 86814910
N-[(2-ethoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120921521
(2R,3S)-2-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 120936179
N-[(4-chloro-2-methoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120931808
6-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 71856661
5-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 71921983
N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 71972558
1-ethyl-1-methyl-3-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]urea
CID 97055346
N-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 97052061
N-methyl-N-(oxolan-3-ylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120936564
N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-N'-[4-(1H-pyrazol-5-yl)phenyl]oxamide
CID 166205715

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (CID 120936185) is N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is Cc1ccc(CNC(=O)C2(n3cccn3)CCNCC2)c(OCC2CCOC2)c1.Cl.
What is the InChIKey of N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is ZVYYIMRZIARTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3.ClH/c1-17-3-4-19(20(13-17)29-16-18-5-12-28-15-18)14-24-21(27)22(6-9-23-10-7-22)26-11-2-8-25-26;/h2-4,8,11,13,18,23H,5-7,9-10,12,14-16H2,1H3,(H,24,27);1H.
What are the key properties of N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 434.97 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120936185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).