[2-(aminomethyl)piperidin-1-yl]-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone;hydrochloride

C21H29ClN4O — CID 119466464

IUPAC[2-(aminomethyl)piperidin-1-yl]-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone;hydrochloride
SMILESCCc1ccc(-n2nc(C(=O)N3CCCCC3CN)c3c2CCC3)cc1.Cl
InChIInChI=1S/C21H28N4O.ClH/c1-2-15-9-11-16(12-10-15)25-19-8-5-7-18(19)20(23-25)21(26)24-13-4-3-6-17(24)14-22;/h9-12,17H,2-8,13-14,22H2,1H3;1H
InChIKeySUAUQWSCNAGOJA-UHFFFAOYSA-N
MW388.94 g/mol
LogP3.30
Rot. Bonds4

About [2-(aminomethyl)piperidin-1-yl]-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone;hydrochloride

[2-(aminomethyl)piperidin-1-yl]-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone;hydrochloride (PubChem CID 119466464) has the molecular formula C21H29ClN4O and a molecular weight of 388.94 g/mol. Its IUPAC name is [2-(aminomethyl)piperidin-1-yl]-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[2-(aminomethyl)piperidin-1-yl]-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone;hydrochloride
PubChem CID119466464
Molecular FormulaC21H29ClN4O
Molecular Weight388.94 g/mol
Exact Mass388.20
IUPAC Name[2-(aminomethyl)piperidin-1-yl]-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone;hydrochloride
SMILESCCc1ccc(-n2nc(C(=O)N3CCCCC3CN)c3c2CCC3)cc1.Cl
InChIInChI=1S/C21H28N4O.ClH/c1-2-15-9-11-16(12-10-15)25-19-8-5-7-18(19)20(23-25)21(26)24-13-4-3-6-17(24)14-22;/h9-12,17H,2-8,13-14,22H2,1H3;1H
InChIKeySUAUQWSCNAGOJA-UHFFFAOYSA-N
XLogP3.30
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.94
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)piperidin-1-yl]-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone;hydrochloride?
The IUPAC name of [2-(aminomethyl)piperidin-1-yl]-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone;hydrochloride (CID 119466464) is [2-(aminomethyl)piperidin-1-yl]-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone;hydrochloride.
What is the SMILES notation for [2-(aminomethyl)piperidin-1-yl]-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone;hydrochloride?
The canonical SMILES for [2-(aminomethyl)piperidin-1-yl]-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone;hydrochloride is CCc1ccc(-n2nc(C(=O)N3CCCCC3CN)c3c2CCC3)cc1.Cl.
What is the InChIKey of [2-(aminomethyl)piperidin-1-yl]-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone;hydrochloride?
The InChIKey is SUAUQWSCNAGOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O.ClH/c1-2-15-9-11-16(12-10-15)25-19-8-5-7-18(19)20(23-25)21(26)24-13-4-3-6-17(24)14-22;/h9-12,17H,2-8,13-14,22H2,1H3;1H.
What are the key properties of [2-(aminomethyl)piperidin-1-yl]-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone;hydrochloride?
[2-(aminomethyl)piperidin-1-yl]-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone;hydrochloride has a molecular weight of 388.94 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)piperidin-1-yl]-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone;hydrochloride is sourced from PubChem (CID 119466464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).