N-(4-methylphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)propanamide

C15H25N3O+2 — CID 4678806

IUPACN-(4-methylphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)propanamide
SMILESCc1ccc(NC(=O)CC[NH+]2CC[NH+](C)CC2)cc1
InChIInChI=1S/C15H23N3O/c1-13-3-5-14(6-4-13)16-15(19)7-8-18-11-9-17(2)10-12-18/h3-6H,7-12H2,1-2H3,(H,16,19)/p+2
InChIKeyAMDXYLUUAPFSBY-UHFFFAOYSA-P
MW263.38 g/mol
LogP-1.26
Rot. Bonds4

About N-(4-methylphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)propanamide

N-(4-methylphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)propanamide (PubChem CID 4678806) has the molecular formula C15H25N3O+2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(4-methylphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)propanamide
PubChem CID4678806
Molecular FormulaC15H25N3O+2
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-(4-methylphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)propanamide
SMILESCc1ccc(NC(=O)CC[NH+]2CC[NH+](C)CC2)cc1
InChIInChI=1S/C15H23N3O/c1-13-3-5-14(6-4-13)16-15(19)7-8-18-11-9-17(2)10-12-18/h3-6H,7-12H2,1-2H3,(H,16,19)/p+2
InChIKeyAMDXYLUUAPFSBY-UHFFFAOYSA-P
XLogP-1.26
TPSA37.98 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,5-dimethylphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)propanamide
CID 4746710
N-(4-methylphenyl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide
CID 7334604
3-(azepan-1-ium-1-yl)-N-(3,5-dimethylphenyl)propanamide
CID 3419888
N-(2,5-dimethylphenyl)-3-pyrrolidin-1-ium-1-ylpropanamide
CID 4742184
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethylpiperazine-1,4-diium-1-yl)propanamide
CID 5081244
N-(3,4-difluorophenyl)-3-pyrrolidin-1-ium-1-ylpropanamide
CID 4742166
N-(3,4-dimethylphenyl)-3-morpholin-4-ium-4-ylpropanamide
CID 3421987
3-amino-N-(4-methylphenyl)propanamide;hydrochloride
CID 15558174
N-(4-methylphenyl)pentanamide
CID 3662375
N,3-bis(4-methylphenyl)propanamide
CID 19220434
ethyl 4-[3-(4-bromoanilino)-3-oxopropyl]piperazin-4-ium-1-carboxylate
CID 4755792
N-(3,4-dimethylphenyl)-3-(4-methylpiperidin-1-ium-1-yl)propanamide
CID 4742128

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)propanamide?
The IUPAC name of N-(4-methylphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)propanamide (CID 4678806) is N-(4-methylphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)propanamide.
What is the SMILES notation for N-(4-methylphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)propanamide?
The canonical SMILES for N-(4-methylphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)propanamide is Cc1ccc(NC(=O)CC[NH+]2CC[NH+](C)CC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)propanamide?
The InChIKey is AMDXYLUUAPFSBY-UHFFFAOYSA-P. The full InChI is InChI=1S/C15H23N3O/c1-13-3-5-14(6-4-13)16-15(19)7-8-18-11-9-17(2)10-12-18/h3-6H,7-12H2,1-2H3,(H,16,19)/p+2.
What are the key properties of N-(4-methylphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)propanamide?
N-(4-methylphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)propanamide has a molecular weight of 263.38 g/mol, XLogP of -1.26, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)propanamide is sourced from PubChem (CID 4678806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).