2-amino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide

C15H24N4O — CID 61249597

IUPAC2-amino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
SMILESCN1CCN(CCCNC(=O)c2ccccc2N)CC1
InChIInChI=1S/C15H24N4O/c1-18-9-11-19(12-10-18)8-4-7-17-15(20)13-5-2-3-6-14(13)16/h2-3,5-6H,4,7-12,16H2,1H3,(H,17,20)
InChIKeyPDUOAYPYPWCJQA-UHFFFAOYSA-N
MW276.38 g/mol
LogP0.64
Rot. Bonds5

About 2-amino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide

2-amino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide (PubChem CID 61249597) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-amino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
PubChem CID61249597
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2-amino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
SMILESCN1CCN(CCCNC(=O)c2ccccc2N)CC1
InChIInChI=1S/C15H24N4O/c1-18-9-11-19(12-10-18)8-4-7-17-15(20)13-5-2-3-6-14(13)16/h2-3,5-6H,4,7-12,16H2,1H3,(H,17,20)
InChIKeyPDUOAYPYPWCJQA-UHFFFAOYSA-N
XLogP0.64
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(5-piperidin-1-ylpentyl)benzamide
CID 119947207
2-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 47029114
3,4-diamino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 18999787
2-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]benzamide
CID 119946742
2-ethoxy-N-[3-[4-[3-[(2-ethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 2932757
2-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzamide;dihydrochloride
CID 119946558
2-amino-N-[4-[4-(2,1-benzothiazol-3-yl)piperazin-1-yl]butyl]benzamide;hydrochloride
CID 67835617
2-amino-N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]benzamide
CID 10501784
2-(methylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 61377470
2-amino-N-dodecylbenzamide
CID 54099396
2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]furan-3-carboxamide
CID 106686542
2-amino-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 119947503

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide?
The IUPAC name of 2-amino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide (CID 61249597) is 2-amino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide.
What is the SMILES notation for 2-amino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide?
The canonical SMILES for 2-amino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide is CN1CCN(CCCNC(=O)c2ccccc2N)CC1.
What is the InChIKey of 2-amino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide?
The InChIKey is PDUOAYPYPWCJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-18-9-11-19(12-10-18)8-4-7-17-15(20)13-5-2-3-6-14(13)16/h2-3,5-6H,4,7-12,16H2,1H3,(H,17,20).
What are the key properties of 2-amino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide?
2-amino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide has a molecular weight of 276.38 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide is sourced from PubChem (CID 61249597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).