(2S)-N-(3-methoxyphenyl)-2-phenyl-2-(4-piperidin-1-ylanilino)acetamide

C26H29N3O2 — CID 25362284

IUPAC(2S)-N-(3-methoxyphenyl)-2-phenyl-2-(4-piperidin-1-ylanilino)acetamide
SMILESCOc1cccc(NC(=O)[C@@H](Nc2ccc(N3CCCCC3)cc2)c2ccccc2)c1
InChIInChI=1S/C26H29N3O2/c1-31-24-12-8-11-22(19-24)28-26(30)25(20-9-4-2-5-10-20)27-21-13-15-23(16-14-21)29-17-6-3-7-18-29/h2,4-5,8-16,19,25,27H,3,6-7,17-18H2,1H3,(H,28,30)/t25-/m0/s1
InChIKeyYETDZRNSLBENJQ-VWLOTQADSA-N
MW415.54 g/mol
LogP5.48
Rot. Bonds7

About (2S)-N-(3-methoxyphenyl)-2-phenyl-2-(4-piperidin-1-ylanilino)acetamide

(2S)-N-(3-methoxyphenyl)-2-phenyl-2-(4-piperidin-1-ylanilino)acetamide (PubChem CID 25362284) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is (2S)-N-(3-methoxyphenyl)-2-phenyl-2-(4-piperidin-1-ylanilino)acetamide.

Molecular Properties

Compound Name(2S)-N-(3-methoxyphenyl)-2-phenyl-2-(4-piperidin-1-ylanilino)acetamide
PubChem CID25362284
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Name(2S)-N-(3-methoxyphenyl)-2-phenyl-2-(4-piperidin-1-ylanilino)acetamide
SMILESCOc1cccc(NC(=O)[C@@H](Nc2ccc(N3CCCCC3)cc2)c2ccccc2)c1
InChIInChI=1S/C26H29N3O2/c1-31-24-12-8-11-22(19-24)28-26(30)25(20-9-4-2-5-10-20)27-21-13-15-23(16-14-21)29-17-6-3-7-18-29/h2,4-5,8-16,19,25,27H,3,6-7,17-18H2,1H3,(H,28,30)/t25-/m0/s1
InChIKeyYETDZRNSLBENJQ-VWLOTQADSA-N
XLogP5.48
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.54
LogP ≤ 55.48
H-Bond Donors ≤ 52
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

(2R)-2-[4-(4-ethylpiperazin-1-yl)anilino]-N-(3-methoxyphenyl)-2-phenylacetamide
CID 31420058
N-(3-methoxyphenyl)-2-[4-[(2-oxopyrrolidin-1-yl)methyl]anilino]-2-phenylacetamide
CID 87033167
(2R)-N-(3-methoxyphenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 25388633
2-hydroxy-N-(3-methoxyphenyl)-2-phenylacetamide
CID 82132314
2-anilino-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide
CID 4879709
N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 6469276
[(2R)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 7952663
N-(3-methoxyphenyl)-2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2-phenylacetamide
CID 4796277
1-(3-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 48740743
2-phenoxy-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 51157992
N-(4-fluorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-phenylacetamide
CID 46561400
(2S)-2-(3,5-dimethoxyphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 7550636

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-methoxyphenyl)-2-phenyl-2-(4-piperidin-1-ylanilino)acetamide?
The IUPAC name of (2S)-N-(3-methoxyphenyl)-2-phenyl-2-(4-piperidin-1-ylanilino)acetamide (CID 25362284) is (2S)-N-(3-methoxyphenyl)-2-phenyl-2-(4-piperidin-1-ylanilino)acetamide.
What is the SMILES notation for (2S)-N-(3-methoxyphenyl)-2-phenyl-2-(4-piperidin-1-ylanilino)acetamide?
The canonical SMILES for (2S)-N-(3-methoxyphenyl)-2-phenyl-2-(4-piperidin-1-ylanilino)acetamide is COc1cccc(NC(=O)[C@@H](Nc2ccc(N3CCCCC3)cc2)c2ccccc2)c1.
What is the InChIKey of (2S)-N-(3-methoxyphenyl)-2-phenyl-2-(4-piperidin-1-ylanilino)acetamide?
The InChIKey is YETDZRNSLBENJQ-VWLOTQADSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-31-24-12-8-11-22(19-24)28-26(30)25(20-9-4-2-5-10-20)27-21-13-15-23(16-14-21)29-17-6-3-7-18-29/h2,4-5,8-16,19,25,27H,3,6-7,17-18H2,1H3,(H,28,30)/t25-/m0/s1.
What are the key properties of (2S)-N-(3-methoxyphenyl)-2-phenyl-2-(4-piperidin-1-ylanilino)acetamide?
(2S)-N-(3-methoxyphenyl)-2-phenyl-2-(4-piperidin-1-ylanilino)acetamide has a molecular weight of 415.54 g/mol, XLogP of 5.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-methoxyphenyl)-2-phenyl-2-(4-piperidin-1-ylanilino)acetamide is sourced from PubChem (CID 25362284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).