N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-4-pyrazol-1-ylbenzamide;propan-1-amine

C19H26N6O3 — CID 145139182

IUPACN-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-4-pyrazol-1-ylbenzamide;propan-1-amine
SMILESCCCN.O=C1CN(C(=O)CNC(=O)c2ccc(-n3cccn3)cc2)CCN1
InChIInChI=1S/C16H17N5O3.C3H9N/c22-14-11-20(9-7-17-14)15(23)10-18-16(24)12-2-4-13(5-3-12)21-8-1-6-19-21;1-2-3-4/h1-6,8H,7,9-11H2,(H,17,22)(H,18,24);2-4H2,1H3
InChIKeyMIPRQXSLEAUQDO-UHFFFAOYSA-N
MW386.46 g/mol
LogP-0.08
Rot. Bonds5

About N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-4-pyrazol-1-ylbenzamide;propan-1-amine

N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-4-pyrazol-1-ylbenzamide;propan-1-amine (PubChem CID 145139182) has the molecular formula C19H26N6O3 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-4-pyrazol-1-ylbenzamide;propan-1-amine.

Molecular Properties

Compound NameN-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-4-pyrazol-1-ylbenzamide;propan-1-amine
PubChem CID145139182
Molecular FormulaC19H26N6O3
Molecular Weight386.46 g/mol
Exact Mass386.21
IUPAC NameN-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-4-pyrazol-1-ylbenzamide;propan-1-amine
SMILESCCCN.O=C1CN(C(=O)CNC(=O)c2ccc(-n3cccn3)cc2)CCN1
InChIInChI=1S/C16H17N5O3.C3H9N/c22-14-11-20(9-7-17-14)15(23)10-18-16(24)12-2-4-13(5-3-12)21-8-1-6-19-21;1-2-3-4/h1-6,8H,7,9-11H2,(H,17,22)(H,18,24);2-4H2,1H3
InChIKeyMIPRQXSLEAUQDO-UHFFFAOYSA-N
XLogP-0.08
TPSA122.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]benzamide
CID 64722179
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-pyrazol-1-ylbenzamide
CID 18157119
2,3-dimethyl-N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]benzamide
CID 175155114
N-(3-hydroxy-2-methylpropyl)-4-pyrazol-1-ylbenzamide
CID 65031869
N-[2-[di(propan-2-yl)amino]ethyl]-4-pyrazol-1-ylbenzamide
CID 18160782
N-prop-2-ynyl-4-pyrazol-1-ylbenzamide
CID 30601389
4-(4-pyrazol-1-ylbenzoyl)piperazine-2,6-dione
CID 66083192
2-chloro-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]benzamide
CID 62898768
3-fluoro-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]benzamide
CID 62895950
N-(3-piperazin-1-ylpropyl)-4-pyrazol-1-ylbenzamide
CID 119391850
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-pyrazol-1-ylbenzamide
CID 111112821
4-(6-amino-4,4-dimethylhexanoyl)piperazin-2-one
CID 65292594

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-4-pyrazol-1-ylbenzamide;propan-1-amine?
The IUPAC name of N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-4-pyrazol-1-ylbenzamide;propan-1-amine (CID 145139182) is N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-4-pyrazol-1-ylbenzamide;propan-1-amine.
What is the SMILES notation for N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-4-pyrazol-1-ylbenzamide;propan-1-amine?
The canonical SMILES for N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-4-pyrazol-1-ylbenzamide;propan-1-amine is CCCN.O=C1CN(C(=O)CNC(=O)c2ccc(-n3cccn3)cc2)CCN1.
What is the InChIKey of N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-4-pyrazol-1-ylbenzamide;propan-1-amine?
The InChIKey is MIPRQXSLEAUQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3.C3H9N/c22-14-11-20(9-7-17-14)15(23)10-18-16(24)12-2-4-13(5-3-12)21-8-1-6-19-21;1-2-3-4/h1-6,8H,7,9-11H2,(H,17,22)(H,18,24);2-4H2,1H3.
What are the key properties of N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-4-pyrazol-1-ylbenzamide;propan-1-amine?
N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-4-pyrazol-1-ylbenzamide;propan-1-amine has a molecular weight of 386.46 g/mol, XLogP of -0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-4-pyrazol-1-ylbenzamide;propan-1-amine is sourced from PubChem (CID 145139182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).