N-[(2-ethoxyphenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

C19H27ClN4O2 — CID 120926302

IUPACN-[(2-ethoxyphenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCCOc1ccccc1CN(C)C(=O)C1(n2cccn2)CCNCC1.Cl
InChIInChI=1S/C19H26N4O2.ClH/c1-3-25-17-8-5-4-7-16(17)15-22(2)18(24)19(9-12-20-13-10-19)23-14-6-11-21-23;/h4-8,11,14,20H,3,9-10,12-13,15H2,1-2H3;1H
InChIKeyONDZRDXDXXZZIN-UHFFFAOYSA-N
MW378.90 g/mol
LogP2.44
Rot. Bonds6

About N-[(2-ethoxyphenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

N-[(2-ethoxyphenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120926302) has the molecular formula C19H27ClN4O2 and a molecular weight of 378.90 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID120926302
Molecular FormulaC19H27ClN4O2
Molecular Weight378.90 g/mol
Exact Mass378.18
IUPAC NameN-[(2-ethoxyphenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCCOc1ccccc1CN(C)C(=O)C1(n2cccn2)CCNCC1.Cl
InChIInChI=1S/C19H26N4O2.ClH/c1-3-25-17-8-5-4-7-16(17)15-22(2)18(24)19(9-12-20-13-10-19)23-14-6-11-21-23;/h4-8,11,14,20H,3,9-10,12-13,15H2,1-2H3;1H
InChIKeyONDZRDXDXXZZIN-UHFFFAOYSA-N
XLogP2.44
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120921521
N-[(4-fluorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120918675
N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120925460
N-[(4-methoxyphenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918265
N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120929772
(3S)-N-[(2-ethoxyphenyl)methyl]-3-fluoro-N-methylpyrrolidine-3-carboxamide
CID 124588666
N-[(2-ethoxyphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide
CID 63131473
N-methyl-N-[(5-methylthiophen-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120931021
N-[(3,4-dichlorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120918668
N,N-diethyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917135
N-(cyclopropylmethyl)-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120926211
N-[2-(benzylamino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120934302

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (CID 120926302) is N-[(2-ethoxyphenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is CCOc1ccccc1CN(C)C(=O)C1(n2cccn2)CCNCC1.Cl.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is ONDZRDXDXXZZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2.ClH/c1-3-25-17-8-5-4-7-16(17)15-22(2)18(24)19(9-12-20-13-10-19)23-14-6-11-21-23;/h4-8,11,14,20H,3,9-10,12-13,15H2,1-2H3;1H.
What are the key properties of N-[(2-ethoxyphenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
N-[(2-ethoxyphenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 378.90 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120926302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).