6-(2-methylpropyl)-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one;hydrochloride

C18H29ClN4O2 — CID 120994467

IUPAC6-(2-methylpropyl)-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one;hydrochloride
SMILESCC(C)Cc1cc(C(=O)N2CCC(N3CCNCC3)C2)cc(=O)[nH]1.Cl
InChIInChI=1S/C18H28N4O2.ClH/c1-13(2)9-15-10-14(11-17(23)20-15)18(24)22-6-3-16(12-22)21-7-4-19-5-8-21;/h10-11,13,16,19H,3-9,12H2,1-2H3,(H,20,23);1H
InChIKeySTTZNRIKFYUOIA-UHFFFAOYSA-N
MW368.91 g/mol
LogP1.11
Rot. Bonds4

About 6-(2-methylpropyl)-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one;hydrochloride

6-(2-methylpropyl)-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one;hydrochloride (PubChem CID 120994467) has the molecular formula C18H29ClN4O2 and a molecular weight of 368.91 g/mol. Its IUPAC name is 6-(2-methylpropyl)-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name6-(2-methylpropyl)-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one;hydrochloride
PubChem CID120994467
Molecular FormulaC18H29ClN4O2
Molecular Weight368.91 g/mol
Exact Mass368.20
IUPAC Name6-(2-methylpropyl)-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one;hydrochloride
SMILESCC(C)Cc1cc(C(=O)N2CCC(N3CCNCC3)C2)cc(=O)[nH]1.Cl
InChIInChI=1S/C18H28N4O2.ClH/c1-13(2)9-15-10-14(11-17(23)20-15)18(24)22-6-3-16(12-22)21-7-4-19-5-8-21;/h10-11,13,16,19H,3-9,12H2,1-2H3,(H,20,23);1H
InChIKeySTTZNRIKFYUOIA-UHFFFAOYSA-N
XLogP1.11
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one;hydrochloride?
The IUPAC name of 6-(2-methylpropyl)-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one;hydrochloride (CID 120994467) is 6-(2-methylpropyl)-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one;hydrochloride.
What is the SMILES notation for 6-(2-methylpropyl)-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one;hydrochloride?
The canonical SMILES for 6-(2-methylpropyl)-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one;hydrochloride is CC(C)Cc1cc(C(=O)N2CCC(N3CCNCC3)C2)cc(=O)[nH]1.Cl.
What is the InChIKey of 6-(2-methylpropyl)-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one;hydrochloride?
The InChIKey is STTZNRIKFYUOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2.ClH/c1-13(2)9-15-10-14(11-17(23)20-15)18(24)22-6-3-16(12-22)21-7-4-19-5-8-21;/h10-11,13,16,19H,3-9,12H2,1-2H3,(H,20,23);1H.
What are the key properties of 6-(2-methylpropyl)-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one;hydrochloride?
6-(2-methylpropyl)-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one;hydrochloride has a molecular weight of 368.91 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one;hydrochloride is sourced from PubChem (CID 120994467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).