N-(2,5-dimethylphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)propanamide

C16H27N3O+2 — CID 4746710

IUPACN-(2,5-dimethylphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)propanamide
SMILESCc1ccc(C)c(NC(=O)CC[NH+]2CC[NH+](C)CC2)c1
InChIInChI=1S/C16H25N3O/c1-13-4-5-14(2)15(12-13)17-16(20)6-7-19-10-8-18(3)9-11-19/h4-5,12H,6-11H2,1-3H3,(H,17,20)/p+2
InChIKeyDHCLELBUESKXDB-UHFFFAOYSA-P
MW277.41 g/mol
LogP-0.95
Rot. Bonds4

About N-(2,5-dimethylphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)propanamide

N-(2,5-dimethylphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)propanamide (PubChem CID 4746710) has the molecular formula C16H27N3O+2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)propanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)propanamide
PubChem CID4746710
Molecular FormulaC16H27N3O+2
Molecular Weight277.41 g/mol
Exact Mass277.21
IUPAC NameN-(2,5-dimethylphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)propanamide
SMILESCc1ccc(C)c(NC(=O)CC[NH+]2CC[NH+](C)CC2)c1
InChIInChI=1S/C16H25N3O/c1-13-4-5-14(2)15(12-13)17-16(20)6-7-19-10-8-18(3)9-11-19/h4-5,12H,6-11H2,1-3H3,(H,17,20)/p+2
InChIKeyDHCLELBUESKXDB-UHFFFAOYSA-P
XLogP-0.95
TPSA37.98 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Analyze N-(2,5-dimethylphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,5-dimethylphenyl)-3-pyrrolidin-1-ium-1-ylpropanamide
CID 4742184
N-(2,5-dimethylphenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide
CID 7343530
N-(2,5-dimethylphenyl)-3-(dipropylamino)propanamide
CID 109033115
N-(2,5-dimethylphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119669251
N-(2,5-dimethylphenyl)-2-(methylamino)acetamide
CID 2396341
N'-[[4-[[[4-(2,5-dimethylanilino)-4-oxobutanoyl]hydrazinylidene]methyl]phenyl]methylideneamino]-N-(2,5-dimethylphenyl)butanediamide
CID 3604245
3-[2-(dimethylamino)ethylamino]-N-(2,5-dimethylphenyl)propanamide
CID 109016422
N-(2,5-dimethylphenyl)-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 9257531
4-amino-N-(2,5-dimethylphenyl)pentanamide;hydrochloride
CID 120558604
N-(2,5-dimethylphenyl)-2-(4-methylphenyl)acetamide
CID 889351
1-[2-(2,5-dimethylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide
CID 8531065
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(2,5-dimethylphenyl)propanamide
CID 84567734

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)propanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)propanamide (CID 4746710) is N-(2,5-dimethylphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)propanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)propanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)propanamide is Cc1ccc(C)c(NC(=O)CC[NH+]2CC[NH+](C)CC2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)propanamide?
The InChIKey is DHCLELBUESKXDB-UHFFFAOYSA-P. The full InChI is InChI=1S/C16H25N3O/c1-13-4-5-14(2)15(12-13)17-16(20)6-7-19-10-8-18(3)9-11-19/h4-5,12H,6-11H2,1-3H3,(H,17,20)/p+2.
What are the key properties of N-(2,5-dimethylphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)propanamide?
N-(2,5-dimethylphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)propanamide has a molecular weight of 277.41 g/mol, XLogP of -0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)propanamide is sourced from PubChem (CID 4746710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).