(2R)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2-methylpropyl)propanamide

C18H31N3O+2 — CID 9275209

IUPAC(2R)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)[C@@H](C)[NH+]1CC[NH+](Cc2ccccc2)CC1
InChIInChI=1S/C18H29N3O/c1-15(2)13-19-18(22)16(3)21-11-9-20(10-12-21)14-17-7-5-4-6-8-17/h4-8,15-16H,9-14H2,1-3H3,(H,19,22)/p+2/t16-/m1/s1
InChIKeyJUVDABKSOVLNIS-MRXNPFEDSA-P
MW305.47 g/mol
LogP-0.87
Rot. Bonds6

About (2R)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2-methylpropyl)propanamide

(2R)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2-methylpropyl)propanamide (PubChem CID 9275209) has the molecular formula C18H31N3O+2 and a molecular weight of 305.47 g/mol. Its IUPAC name is (2R)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2-methylpropyl)propanamide
PubChem CID9275209
Molecular FormulaC18H31N3O+2
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC Name(2R)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)[C@@H](C)[NH+]1CC[NH+](Cc2ccccc2)CC1
InChIInChI=1S/C18H29N3O/c1-15(2)13-19-18(22)16(3)21-11-9-20(10-12-21)14-17-7-5-4-6-8-17/h4-8,15-16H,9-14H2,1-3H3,(H,19,22)/p+2/t16-/m1/s1
InChIKeyJUVDABKSOVLNIS-MRXNPFEDSA-P
XLogP-0.87
TPSA37.98 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Analyze (2R)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2-methylpropyl)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

(2S)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2,5-dimethylphenyl)propanamide
CID 9275173
(2S)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 9275269
(2R)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 9275219
(2R)-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-[(1R)-1-phenylethyl]propanamide
CID 9396131
(2R)-N-benzyl-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]propanamide
CID 8774461
(2S)-N-benzyl-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]propanamide
CID 8774459
(2R)-2-[4-[(4-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-methylpropanamide
CID 8693351
(2S)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-benzylpropanamide
CID 9390327
(2S)-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 9043528
(2R)-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-methylpropanamide
CID 9130658
(2R)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 9275287
(2R)-2-[4-[(4-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 9389666

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2-methylpropyl)propanamide?
The IUPAC name of (2R)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2-methylpropyl)propanamide (CID 9275209) is (2R)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for (2R)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2-methylpropyl)propanamide?
The canonical SMILES for (2R)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)[C@@H](C)[NH+]1CC[NH+](Cc2ccccc2)CC1.
What is the InChIKey of (2R)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2-methylpropyl)propanamide?
The InChIKey is JUVDABKSOVLNIS-MRXNPFEDSA-P. The full InChI is InChI=1S/C18H29N3O/c1-15(2)13-19-18(22)16(3)21-11-9-20(10-12-21)14-17-7-5-4-6-8-17/h4-8,15-16H,9-14H2,1-3H3,(H,19,22)/p+2/t16-/m1/s1.
What are the key properties of (2R)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2-methylpropyl)propanamide?
(2R)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2-methylpropyl)propanamide has a molecular weight of 305.47 g/mol, XLogP of -0.87, 6 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 9275209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).