(2R)-N-(benzylcarbamoyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide

C23H30N4O2 — CID 9460175

IUPAC(2R)-N-(benzylcarbamoyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
SMILESCc1cccc(N2CCN([C@H](C)C(=O)NC(=O)NCc3ccccc3)CC2)c1C
InChIInChI=1S/C23H30N4O2/c1-17-8-7-11-21(18(17)2)27-14-12-26(13-15-27)19(3)22(28)25-23(29)24-16-20-9-5-4-6-10-20/h4-11,19H,12-16H2,1-3H3,(H2,24,25,28,29)/t19-/m1/s1
InChIKeyRYWJFSRYRWBUMV-LJQANCHMSA-N
MW394.52 g/mol
LogP2.84
Rot. Bonds5

About (2R)-N-(benzylcarbamoyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide

(2R)-N-(benzylcarbamoyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide (PubChem CID 9460175) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is (2R)-N-(benzylcarbamoyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(benzylcarbamoyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
PubChem CID9460175
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name(2R)-N-(benzylcarbamoyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
SMILESCc1cccc(N2CCN([C@H](C)C(=O)NC(=O)NCc3ccccc3)CC2)c1C
InChIInChI=1S/C23H30N4O2/c1-17-8-7-11-21(18(17)2)27-14-12-26(13-15-27)19(3)22(28)25-23(29)24-16-20-9-5-4-6-10-20/h4-11,19H,12-16H2,1-3H3,(H2,24,25,28,29)/t19-/m1/s1
InChIKeyRYWJFSRYRWBUMV-LJQANCHMSA-N
XLogP2.84
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(benzylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 9250304
(2S)-N-(benzylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 9249441
(2S)-N-(benzylcarbamoyl)-2-(4-methylpiperazin-1-yl)propanamide
CID 9250096
(2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide
CID 92987715
(2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 9460133
N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide
CID 6469246
N-(methylcarbamoyl)-2-[4-(2-methylphenyl)piperazin-1-yl]propanamide
CID 18086306
N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methylpropanamide
CID 46056009
(2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-prop-2-enylpropanamide
CID 9460026
(2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-prop-2-enylpropanamide
CID 9460029
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 17450172
methyl 1-[(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 40740388

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(benzylcarbamoyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-(benzylcarbamoyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide (CID 9460175) is (2R)-N-(benzylcarbamoyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(benzylcarbamoyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-(benzylcarbamoyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide is Cc1cccc(N2CCN([C@H](C)C(=O)NC(=O)NCc3ccccc3)CC2)c1C.
What is the InChIKey of (2R)-N-(benzylcarbamoyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide?
The InChIKey is RYWJFSRYRWBUMV-LJQANCHMSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-17-8-7-11-21(18(17)2)27-14-12-26(13-15-27)19(3)22(28)25-23(29)24-16-20-9-5-4-6-10-20/h4-11,19H,12-16H2,1-3H3,(H2,24,25,28,29)/t19-/m1/s1.
What are the key properties of (2R)-N-(benzylcarbamoyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide?
(2R)-N-(benzylcarbamoyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide has a molecular weight of 394.52 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(benzylcarbamoyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 9460175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).