(2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-naphthalen-2-yloxypropanamide

C24H27N3O2 — CID 99131039

IUPAC(2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-naphthalen-2-yloxypropanamide
SMILESC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C24H27N3O2/c1-18(29-23-12-7-19-5-3-4-6-20(19)17-23)24(28)25-21-8-10-22(11-9-21)27-15-13-26(2)14-16-27/h3-12,17-18H,13-16H2,1-2H3,(H,25,28)/t18-/m0/s1
InChIKeyGVYXSQPOGLRFNN-SFHVURJKSA-N
MW389.50 g/mol
LogP4.00
Rot. Bonds5

About (2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-naphthalen-2-yloxypropanamide

(2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-naphthalen-2-yloxypropanamide (PubChem CID 99131039) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is (2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-naphthalen-2-yloxypropanamide.

Molecular Properties

Compound Name(2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-naphthalen-2-yloxypropanamide
PubChem CID99131039
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name(2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-naphthalen-2-yloxypropanamide
SMILESC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C24H27N3O2/c1-18(29-23-12-7-19-5-3-4-6-20(19)17-23)24(28)25-21-8-10-22(11-9-21)27-15-13-26(2)14-16-27/h3-12,17-18H,13-16H2,1-2H3,(H,25,28)/t18-/m0/s1
InChIKeyGVYXSQPOGLRFNN-SFHVURJKSA-N
XLogP4.00
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(4-methoxyphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 95712950
(2S)-2-(4-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 30857195
2-(4-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 17419365
2-phenoxy-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 51157992
(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 100584423
(2R)-2-(2,3-dimethylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 38925558
(2S)-2-(2,3-dimethylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 38925563
(2R)-2-(2,5-dimethylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 95712980
(2R)-2-(2,4-dichlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 1293927
2-naphthalen-2-yloxy-N-(4-piperidin-1-ylphenyl)butanamide
CID 133166849
2-naphthalen-2-yloxy-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 133168907
2-(4-methylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 133166686

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-naphthalen-2-yloxypropanamide?
The IUPAC name of (2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-naphthalen-2-yloxypropanamide (CID 99131039) is (2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-naphthalen-2-yloxypropanamide.
What is the SMILES notation for (2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-naphthalen-2-yloxypropanamide?
The canonical SMILES for (2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-naphthalen-2-yloxypropanamide is C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of (2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-naphthalen-2-yloxypropanamide?
The InChIKey is GVYXSQPOGLRFNN-SFHVURJKSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-18(29-23-12-7-19-5-3-4-6-20(19)17-23)24(28)25-21-8-10-22(11-9-21)27-15-13-26(2)14-16-27/h3-12,17-18H,13-16H2,1-2H3,(H,25,28)/t18-/m0/s1.
What are the key properties of (2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-naphthalen-2-yloxypropanamide?
(2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-naphthalen-2-yloxypropanamide has a molecular weight of 389.50 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-naphthalen-2-yloxypropanamide is sourced from PubChem (CID 99131039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).