3-phenyl-N-[4-[4-(2-thiophen-2-ylethylamino)piperidin-1-yl]phenyl]propanamide

C26H31N3OS — CID 26402333

IUPAC3-phenyl-N-[4-[4-(2-thiophen-2-ylethylamino)piperidin-1-yl]phenyl]propanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(N2CCC(NCCc3cccs3)CC2)cc1
InChIInChI=1S/C26H31N3OS/c30-26(13-8-21-5-2-1-3-6-21)28-23-9-11-24(12-10-23)29-18-15-22(16-19-29)27-17-14-25-7-4-20-31-25/h1-7,9-12,20,22,27H,8,13-19H2,(H,28,30)
InChIKeyNIHPXDKBTHBWCF-UHFFFAOYSA-N
MW433.62 g/mol
LogP5.12
Rot. Bonds9

About 3-phenyl-N-[4-[4-(2-thiophen-2-ylethylamino)piperidin-1-yl]phenyl]propanamide

3-phenyl-N-[4-[4-(2-thiophen-2-ylethylamino)piperidin-1-yl]phenyl]propanamide (PubChem CID 26402333) has the molecular formula C26H31N3OS and a molecular weight of 433.62 g/mol. Its IUPAC name is 3-phenyl-N-[4-[4-(2-thiophen-2-ylethylamino)piperidin-1-yl]phenyl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[4-[4-(2-thiophen-2-ylethylamino)piperidin-1-yl]phenyl]propanamide
PubChem CID26402333
Molecular FormulaC26H31N3OS
Molecular Weight433.62 g/mol
Exact Mass433.22
IUPAC Name3-phenyl-N-[4-[4-(2-thiophen-2-ylethylamino)piperidin-1-yl]phenyl]propanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(N2CCC(NCCc3cccs3)CC2)cc1
InChIInChI=1S/C26H31N3OS/c30-26(13-8-21-5-2-1-3-6-21)28-23-9-11-24(12-10-23)29-18-15-22(16-19-29)27-17-14-25-7-4-20-31-25/h1-7,9-12,20,22,27H,8,13-19H2,(H,28,30)
InChIKeyNIHPXDKBTHBWCF-UHFFFAOYSA-N
XLogP5.12
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.62
LogP ≤ 55.12
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

N-[4-[4-(2,3-dihydro-1H-inden-2-ylamino)piperidin-1-yl]phenyl]-3-phenylpropanamide
CID 26354265
N-[4-[4-(1,4-dioxan-2-ylmethylamino)piperidin-1-yl]phenyl]-3-phenylpropanamide
CID 45177864
N-[4-[4-[3-(4-methyl-1,3-thiazol-5-yl)propylamino]piperidin-1-yl]phenyl]-5-phenylpentanamide
CID 42468339
ethyl 4-[[1-[4-(3-phenylpropanoylamino)phenyl]piperidin-4-yl]amino]piperidine-1-carboxylate
CID 42425569
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 9302925
N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-phenylpropanamide
CID 1055921
N-[4-[4-[2-(3-fluorophenyl)ethylamino]piperidin-1-yl]phenyl]-2-phenoxyacetamide
CID 42276922
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(2-phenylethylamino)acetamide
CID 108999945
3-(cyclopentylamino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 109013734
N-[4-[4-(benzylamino)piperidin-1-yl]phenyl]-2-phenoxyacetamide
CID 26339854
N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-3-thiophen-2-ylpropanamide
CID 110635875
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 7744758

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[4-[4-(2-thiophen-2-ylethylamino)piperidin-1-yl]phenyl]propanamide?
The IUPAC name of 3-phenyl-N-[4-[4-(2-thiophen-2-ylethylamino)piperidin-1-yl]phenyl]propanamide (CID 26402333) is 3-phenyl-N-[4-[4-(2-thiophen-2-ylethylamino)piperidin-1-yl]phenyl]propanamide.
What is the SMILES notation for 3-phenyl-N-[4-[4-(2-thiophen-2-ylethylamino)piperidin-1-yl]phenyl]propanamide?
The canonical SMILES for 3-phenyl-N-[4-[4-(2-thiophen-2-ylethylamino)piperidin-1-yl]phenyl]propanamide is O=C(CCc1ccccc1)Nc1ccc(N2CCC(NCCc3cccs3)CC2)cc1.
What is the InChIKey of 3-phenyl-N-[4-[4-(2-thiophen-2-ylethylamino)piperidin-1-yl]phenyl]propanamide?
The InChIKey is NIHPXDKBTHBWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3OS/c30-26(13-8-21-5-2-1-3-6-21)28-23-9-11-24(12-10-23)29-18-15-22(16-19-29)27-17-14-25-7-4-20-31-25/h1-7,9-12,20,22,27H,8,13-19H2,(H,28,30).
What are the key properties of 3-phenyl-N-[4-[4-(2-thiophen-2-ylethylamino)piperidin-1-yl]phenyl]propanamide?
3-phenyl-N-[4-[4-(2-thiophen-2-ylethylamino)piperidin-1-yl]phenyl]propanamide has a molecular weight of 433.62 g/mol, XLogP of 5.12, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[4-[4-(2-thiophen-2-ylethylamino)piperidin-1-yl]phenyl]propanamide is sourced from PubChem (CID 26402333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).