N-[2-oxo-1-phenyl-2-(3-piperazin-1-ylpropylamino)ethyl]benzamide;hydrochloride

C22H29ClN4O2 — CID 119390719

IUPACN-[2-oxo-1-phenyl-2-(3-piperazin-1-ylpropylamino)ethyl]benzamide;hydrochloride
SMILESCl.O=C(NC(C(=O)NCCCN1CCNCC1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28N4O2.ClH/c27-21(19-10-5-2-6-11-19)25-20(18-8-3-1-4-9-18)22(28)24-12-7-15-26-16-13-23-14-17-26;/h1-6,8-11,20,23H,7,12-17H2,(H,24,28)(H,25,27);1H
InChIKeyXCSPYKDWNJUBCP-UHFFFAOYSA-N
MW416.95 g/mol
LogP1.99
Rot. Bonds8

About N-[2-oxo-1-phenyl-2-(3-piperazin-1-ylpropylamino)ethyl]benzamide;hydrochloride

N-[2-oxo-1-phenyl-2-(3-piperazin-1-ylpropylamino)ethyl]benzamide;hydrochloride (PubChem CID 119390719) has the molecular formula C22H29ClN4O2 and a molecular weight of 416.95 g/mol. Its IUPAC name is N-[2-oxo-1-phenyl-2-(3-piperazin-1-ylpropylamino)ethyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-oxo-1-phenyl-2-(3-piperazin-1-ylpropylamino)ethyl]benzamide;hydrochloride
PubChem CID119390719
Molecular FormulaC22H29ClN4O2
Molecular Weight416.95 g/mol
Exact Mass416.20
IUPAC NameN-[2-oxo-1-phenyl-2-(3-piperazin-1-ylpropylamino)ethyl]benzamide;hydrochloride
SMILESCl.O=C(NC(C(=O)NCCCN1CCNCC1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28N4O2.ClH/c27-21(19-10-5-2-6-11-19)25-20(18-8-3-1-4-9-18)22(28)24-12-7-15-26-16-13-23-14-17-26;/h1-6,8-11,20,23H,7,12-17H2,(H,24,28)(H,25,27);1H
InChIKeyXCSPYKDWNJUBCP-UHFFFAOYSA-N
XLogP1.99
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.95
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-phenyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119391045
N-[2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]benzamide
CID 100963826
N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]benzamide;hydrochloride
CID 119393183
N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide
CID 119394389
N-[2-oxo-1-phenyl-2-(3-pyrazol-1-ylpropylamino)ethyl]benzamide
CID 55912679
2-(diethylamino)-2-phenyl-N-(3-piperazin-1-ylpropyl)acetamide
CID 119392036
4-methoxy-N-[3-methyl-1-oxo-1-(3-piperazin-1-ylpropylamino)butan-2-yl]benzamide;hydrochloride
CID 119392270
4-chloro-N-[3-methyl-1-oxo-1-(3-piperazin-1-ylpropylamino)butan-2-yl]benzamide;hydrochloride
CID 119394253
4-oxo-4-phenyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119394229
3-phenyl-N-(3-piperazin-1-ylpropyl)pentanamide
CID 119394066
4-phenyl-N-(4-piperazin-1-ylbutyl)benzamide
CID 144947702
2-phenoxy-N-(3-piperazin-1-ylpropyl)propanamide
CID 119394204

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-1-phenyl-2-(3-piperazin-1-ylpropylamino)ethyl]benzamide;hydrochloride?
The IUPAC name of N-[2-oxo-1-phenyl-2-(3-piperazin-1-ylpropylamino)ethyl]benzamide;hydrochloride (CID 119390719) is N-[2-oxo-1-phenyl-2-(3-piperazin-1-ylpropylamino)ethyl]benzamide;hydrochloride.
What is the SMILES notation for N-[2-oxo-1-phenyl-2-(3-piperazin-1-ylpropylamino)ethyl]benzamide;hydrochloride?
The canonical SMILES for N-[2-oxo-1-phenyl-2-(3-piperazin-1-ylpropylamino)ethyl]benzamide;hydrochloride is Cl.O=C(NC(C(=O)NCCCN1CCNCC1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-oxo-1-phenyl-2-(3-piperazin-1-ylpropylamino)ethyl]benzamide;hydrochloride?
The InChIKey is XCSPYKDWNJUBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2.ClH/c27-21(19-10-5-2-6-11-19)25-20(18-8-3-1-4-9-18)22(28)24-12-7-15-26-16-13-23-14-17-26;/h1-6,8-11,20,23H,7,12-17H2,(H,24,28)(H,25,27);1H.
What are the key properties of N-[2-oxo-1-phenyl-2-(3-piperazin-1-ylpropylamino)ethyl]benzamide;hydrochloride?
N-[2-oxo-1-phenyl-2-(3-piperazin-1-ylpropylamino)ethyl]benzamide;hydrochloride has a molecular weight of 416.95 g/mol, XLogP of 1.99, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-1-phenyl-2-(3-piperazin-1-ylpropylamino)ethyl]benzamide;hydrochloride is sourced from PubChem (CID 119390719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).