N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

C20H27ClN4O2 — CID 120930358

IUPACN-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCCc1cccc2c1OCCC2NC(=O)C1(n2cccn2)CCNCC1.Cl
InChIInChI=1S/C20H26N4O2.ClH/c1-2-15-5-3-6-16-17(7-14-26-18(15)16)23-19(25)20(8-11-21-12-9-20)24-13-4-10-22-24;/h3-6,10,13,17,21H,2,7-9,11-12,14H2,1H3,(H,23,25);1H
InChIKeyPOUMGVBJXKXJPR-UHFFFAOYSA-N
MW390.92 g/mol
LogP2.59
Rot. Bonds4

About N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120930358) has the molecular formula C20H27ClN4O2 and a molecular weight of 390.92 g/mol. Its IUPAC name is N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID120930358
Molecular FormulaC20H27ClN4O2
Molecular Weight390.92 g/mol
Exact Mass390.18
IUPAC NameN-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCCc1cccc2c1OCCC2NC(=O)C1(n2cccn2)CCNCC1.Cl
InChIInChI=1S/C20H26N4O2.ClH/c1-2-15-5-3-6-16-17(7-14-26-18(15)16)23-19(25)20(8-11-21-12-9-20)24-13-4-10-22-24;/h3-6,10,13,17,21H,2,7-9,11-12,14H2,1H3,(H,23,25);1H
InChIKeyPOUMGVBJXKXJPR-UHFFFAOYSA-N
XLogP2.59
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.92
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120931190
4-(aminomethyl)-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)oxane-4-carboxamide;hydrochloride
CID 120930354
N-(4-ethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917507
N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120932670
N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120935433
N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120931395
N-(1-benzyl-2-oxopyrrolidin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120928772
1-tert-butyl-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)pyrazole-4-carboxamide
CID 146121951
N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120940896
N-[(2-ethoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120921521
N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120920206
methyl 2-(oxan-4-yl)-3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]propanoate
CID 120931889

Frequently Asked Questions

What is the IUPAC name of N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (CID 120930358) is N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is CCc1cccc2c1OCCC2NC(=O)C1(n2cccn2)CCNCC1.Cl.
What is the InChIKey of N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is POUMGVBJXKXJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2.ClH/c1-2-15-5-3-6-16-17(7-14-26-18(15)16)23-19(25)20(8-11-21-12-9-20)24-13-4-10-22-24;/h3-6,10,13,17,21H,2,7-9,11-12,14H2,1H3,(H,23,25);1H.
What are the key properties of N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 390.92 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120930358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).