(2R)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylpentanamide

C22H29N3O — CID 39911400

IUPAC(2R)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylpentanamide
SMILESCCC[C@@H](C(=O)Nc1ccc(N2CCN(C)CC2)cc1)c1ccccc1
InChIInChI=1S/C22H29N3O/c1-3-7-21(18-8-5-4-6-9-18)22(26)23-19-10-12-20(13-11-19)25-16-14-24(2)15-17-25/h4-6,8-13,21H,3,7,14-17H2,1-2H3,(H,23,26)/t21-/m1/s1
InChIKeyOMANHZMSJFZUEK-OAQYLSRUSA-N
MW351.49 g/mol
LogP3.96
Rot. Bonds6

About (2R)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylpentanamide

(2R)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylpentanamide (PubChem CID 39911400) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is (2R)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylpentanamide.

Molecular Properties

Compound Name(2R)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylpentanamide
PubChem CID39911400
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name(2R)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylpentanamide
SMILESCCC[C@@H](C(=O)Nc1ccc(N2CCN(C)CC2)cc1)c1ccccc1
InChIInChI=1S/C22H29N3O/c1-3-7-21(18-8-5-4-6-9-18)22(26)23-19-10-12-20(13-11-19)25-16-14-24(2)15-17-25/h4-6,8-13,21H,3,7,14-17H2,1-2H3,(H,23,26)/t21-/m1/s1
InChIKeyOMANHZMSJFZUEK-OAQYLSRUSA-N
XLogP3.96
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenyl-2-phenylsulfanylacetamide
CID 30857945
(2S)-N-[4-(4-hexanoylpiperazin-1-yl)phenyl]-2-phenylbutanamide
CID 7356460
N-(4-ethoxyphenyl)-2-phenylpentanamide
CID 112760775
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylbutanamide
CID 51327852
N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-2-phenylbutanamide
CID 3393512
(2S)-2-benzylsulfanyl-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 52646335
2-[acetyl(1-phenylethyl)amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 113162094
2-hydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 83768240
N-[4-[acetyl(methyl)amino]phenyl]-2-phenylpentanamide
CID 86857745
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpiperazine-1-carboxamide
CID 108989553
2-ethylsulfanyl-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 53285947
1-ethyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylurea
CID 108991540

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylpentanamide?
The IUPAC name of (2R)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylpentanamide (CID 39911400) is (2R)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylpentanamide.
What is the SMILES notation for (2R)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylpentanamide?
The canonical SMILES for (2R)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylpentanamide is CCC[C@@H](C(=O)Nc1ccc(N2CCN(C)CC2)cc1)c1ccccc1.
What is the InChIKey of (2R)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylpentanamide?
The InChIKey is OMANHZMSJFZUEK-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H29N3O/c1-3-7-21(18-8-5-4-6-9-18)22(26)23-19-10-12-20(13-11-19)25-16-14-24(2)15-17-25/h4-6,8-13,21H,3,7,14-17H2,1-2H3,(H,23,26)/t21-/m1/s1.
What are the key properties of (2R)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylpentanamide?
(2R)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylpentanamide has a molecular weight of 351.49 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylpentanamide is sourced from PubChem (CID 39911400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).