3,4-diamino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide

C15H25N5O — CID 18999787

IUPAC3,4-diamino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
SMILESCN1CCN(CCCNC(=O)c2ccc(N)c(N)c2)CC1
InChIInChI=1S/C15H25N5O/c1-19-7-9-20(10-8-19)6-2-5-18-15(21)12-3-4-13(16)14(17)11-12/h3-4,11H,2,5-10,16-17H2,1H3,(H,18,21)
InChIKeyYHMOOIQDDVAVPW-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.22
Rot. Bonds5

About 3,4-diamino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide

3,4-diamino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide (PubChem CID 18999787) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 3,4-diamino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name3,4-diamino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
PubChem CID18999787
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name3,4-diamino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
SMILESCN1CCN(CCCNC(=O)c2ccc(N)c(N)c2)CC1
InChIInChI=1S/C15H25N5O/c1-19-7-9-20(10-8-19)6-2-5-18-15(21)12-3-4-13(16)14(17)11-12/h3-4,11H,2,5-10,16-17H2,1H3,(H,18,21)
InChIKeyYHMOOIQDDVAVPW-UHFFFAOYSA-N
XLogP0.22
TPSA87.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

6-amino-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide
CID 70906155
4-bromo-3-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 80965947
3-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 54861059
N-[3-(4-methylpiperazin-1-yl)propyl]-4-propan-2-ylbenzamide
CID 59186291
2-amino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 61249597
4-amino-3-fluoro-N-(3-piperidin-1-ylpropyl)benzamide
CID 62682209
2-N,7-N-bis[3-(4-methylpiperazin-1-yl)propyl]-9-oxoxanthene-2,7-dicarboxamide
CID 54338872
3,4-dichloro-N-[3-[4-[3-[(3,4-dichlorobenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 3672547
N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95166108
6-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide
CID 60668368
6-(furan-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]naphthalene-2-carboxamide
CID 172658373
3-amino-N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 82167851

Frequently Asked Questions

What is the IUPAC name of 3,4-diamino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide?
The IUPAC name of 3,4-diamino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide (CID 18999787) is 3,4-diamino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide.
What is the SMILES notation for 3,4-diamino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide?
The canonical SMILES for 3,4-diamino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide is CN1CCN(CCCNC(=O)c2ccc(N)c(N)c2)CC1.
What is the InChIKey of 3,4-diamino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide?
The InChIKey is YHMOOIQDDVAVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-19-7-9-20(10-8-19)6-2-5-18-15(21)12-3-4-13(16)14(17)11-12/h3-4,11H,2,5-10,16-17H2,1H3,(H,18,21).
What are the key properties of 3,4-diamino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide?
3,4-diamino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide has a molecular weight of 291.40 g/mol, XLogP of 0.22, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diamino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide is sourced from PubChem (CID 18999787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).