ethyl 2-[3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]phenyl]acetate;hydrochloride

C19H25ClN4O3 — CID 120934173

IUPACethyl 2-[3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]phenyl]acetate;hydrochloride
SMILESCCOC(=O)Cc1cccc(NC(=O)C2(n3cccn3)CCNCC2)c1.Cl
InChIInChI=1S/C19H24N4O3.ClH/c1-2-26-17(24)14-15-5-3-6-16(13-15)22-18(25)19(7-10-20-11-8-19)23-12-4-9-21-23;/h3-6,9,12-13,20H,2,7-8,10-11,14H2,1H3,(H,22,25);1H
InChIKeyVPUSSIGWMSBQCF-UHFFFAOYSA-N
MW392.89 g/mol
LogP2.13
Rot. Bonds6

About ethyl 2-[3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]phenyl]acetate;hydrochloride

ethyl 2-[3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]phenyl]acetate;hydrochloride (PubChem CID 120934173) has the molecular formula C19H25ClN4O3 and a molecular weight of 392.89 g/mol. Its IUPAC name is ethyl 2-[3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]phenyl]acetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-[3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]phenyl]acetate;hydrochloride
PubChem CID120934173
Molecular FormulaC19H25ClN4O3
Molecular Weight392.89 g/mol
Exact Mass392.16
IUPAC Nameethyl 2-[3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]phenyl]acetate;hydrochloride
SMILESCCOC(=O)Cc1cccc(NC(=O)C2(n3cccn3)CCNCC2)c1.Cl
InChIInChI=1S/C19H24N4O3.ClH/c1-2-26-17(24)14-15-5-3-6-16(13-15)22-18(25)19(7-10-20-11-8-19)23-12-4-9-21-23;/h3-6,9,12-13,20H,2,7-8,10-11,14H2,1H3,(H,22,25);1H
InChIKeyVPUSSIGWMSBQCF-UHFFFAOYSA-N
XLogP2.13
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-propoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120923034
N-[3-(butanoylamino)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120924327
N-[3-(cyclohexyloxymethyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120928288
N-(4-ethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917507
methyl 2-[3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]phenoxy]acetate
CID 120922883
N-(2-methyl-4-pyridinyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120938072
N-(3,4-dimethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917006
N-[3-(diethylcarbamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120918876
N-(4-ethoxy-3-methoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120919245
N-(3,4-dipropoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918139
N-[3-(1-methylimidazol-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120939586
N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120926643

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]phenyl]acetate;hydrochloride?
The IUPAC name of ethyl 2-[3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]phenyl]acetate;hydrochloride (CID 120934173) is ethyl 2-[3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]phenyl]acetate;hydrochloride.
What is the SMILES notation for ethyl 2-[3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]phenyl]acetate;hydrochloride?
The canonical SMILES for ethyl 2-[3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]phenyl]acetate;hydrochloride is CCOC(=O)Cc1cccc(NC(=O)C2(n3cccn3)CCNCC2)c1.Cl.
What is the InChIKey of ethyl 2-[3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]phenyl]acetate;hydrochloride?
The InChIKey is VPUSSIGWMSBQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3.ClH/c1-2-26-17(24)14-15-5-3-6-16(13-15)22-18(25)19(7-10-20-11-8-19)23-12-4-9-21-23;/h3-6,9,12-13,20H,2,7-8,10-11,14H2,1H3,(H,22,25);1H.
What are the key properties of ethyl 2-[3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]phenyl]acetate;hydrochloride?
ethyl 2-[3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]phenyl]acetate;hydrochloride has a molecular weight of 392.89 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]phenyl]acetate;hydrochloride is sourced from PubChem (CID 120934173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).