(2R)-N-(2,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)propanamide

C21H27N3O — CID 9250150

IUPAC(2R)-N-(2,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)N2CCN(c3ccccc3)CC2)c(C)c1
InChIInChI=1S/C21H27N3O/c1-16-9-10-20(17(2)15-16)22-21(25)18(3)23-11-13-24(14-12-23)19-7-5-4-6-8-19/h4-10,15,18H,11-14H2,1-3H3,(H,22,25)/t18-/m1/s1
InChIKeyLWEMCNDNIXTWBX-GOSISDBHSA-N
MW337.47 g/mol
LogP3.45
Rot. Bonds4

About (2R)-N-(2,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)propanamide

(2R)-N-(2,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)propanamide (PubChem CID 9250150) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is (2R)-N-(2,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(2,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)propanamide
PubChem CID9250150
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name(2R)-N-(2,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)N2CCN(c3ccccc3)CC2)c(C)c1
InChIInChI=1S/C21H27N3O/c1-16-9-10-20(17(2)15-16)22-21(25)18(3)23-11-13-24(14-12-23)19-7-5-4-6-8-19/h4-10,15,18H,11-14H2,1-3H3,(H,22,25)/t18-/m1/s1
InChIKeyLWEMCNDNIXTWBX-GOSISDBHSA-N
XLogP3.45
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2,4-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 9431310
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2,4-dimethylphenyl)propanamide
CID 9275187
(2R)-2-(azocan-1-yl)-N-(2,4-dimethylphenyl)propanamide
CID 9460338
2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-N-(2,4-dimethylphenyl)propanamide
CID 51334142
(2S)-2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 9250174
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)propanamide
CID 51168008
N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 46529469
ethyl 4-[(2R)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl]piperazine-1-carboxylate
CID 9431101
N-(2-cyanophenyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 46800715
(2R)-N-(2,4-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 9431689
N-(2,4-dimethylphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152381
(2S)-N-(2-methylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide
CID 31629845

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)propanamide?
The IUPAC name of (2R)-N-(2,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)propanamide (CID 9250150) is (2R)-N-(2,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)propanamide.
What is the SMILES notation for (2R)-N-(2,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)propanamide?
The canonical SMILES for (2R)-N-(2,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)propanamide is Cc1ccc(NC(=O)[C@@H](C)N2CCN(c3ccccc3)CC2)c(C)c1.
What is the InChIKey of (2R)-N-(2,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)propanamide?
The InChIKey is LWEMCNDNIXTWBX-GOSISDBHSA-N. The full InChI is InChI=1S/C21H27N3O/c1-16-9-10-20(17(2)15-16)22-21(25)18(3)23-11-13-24(14-12-23)19-7-5-4-6-8-19/h4-10,15,18H,11-14H2,1-3H3,(H,22,25)/t18-/m1/s1.
What are the key properties of (2R)-N-(2,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)propanamide?
(2R)-N-(2,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)propanamide has a molecular weight of 337.47 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)propanamide is sourced from PubChem (CID 9250150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).