N-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]-5-propan-2-ylthiophene-3-carboxamide

C21H27N3OS — CID 17310997

IUPACN-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]-5-propan-2-ylthiophene-3-carboxamide
SMILESC/C(=N\NC(=O)c1csc(C(C)C)c1)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C21H27N3OS/c1-15(2)20-13-18(14-26-20)21(25)23-22-16(3)17-7-9-19(10-8-17)24-11-5-4-6-12-24/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,23,25)/b22-16+
InChIKeyCYDJMLPPQHATEC-CJLVFECKSA-N
MW369.53 g/mol
LogP5.02
Rot. Bonds5

About N-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]-5-propan-2-ylthiophene-3-carboxamide

N-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]-5-propan-2-ylthiophene-3-carboxamide (PubChem CID 17310997) has the molecular formula C21H27N3OS and a molecular weight of 369.53 g/mol. Its IUPAC name is N-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]-5-propan-2-ylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]-5-propan-2-ylthiophene-3-carboxamide
PubChem CID17310997
Molecular FormulaC21H27N3OS
Molecular Weight369.53 g/mol
Exact Mass369.19
IUPAC NameN-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]-5-propan-2-ylthiophene-3-carboxamide
SMILESC/C(=N\NC(=O)c1csc(C(C)C)c1)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C21H27N3OS/c1-15(2)20-13-18(14-26-20)21(25)23-22-16(3)17-7-9-19(10-8-17)24-11-5-4-6-12-24/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,23,25)/b22-16+
InChIKeyCYDJMLPPQHATEC-CJLVFECKSA-N
XLogP5.02
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.53
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethoxy-N-[(Z)-1-(4-piperidin-1-ylphenyl)ethylideneamino]benzamide
CID 9232157
N-[(E)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]pyrazine-2-carboxamide
CID 96996113
N-[(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-3-methoxy-4-propan-2-yloxybenzamide
CID 7966581
N-[1-[4-(azepan-1-yl)phenyl]ethylideneamino]-2-bromobenzamide
CID 4301552
(E)-4-[4-[(Z)-C-methyl-N-[(5-propan-2-ylthiophene-3-carbonyl)amino]carbonimidoyl]anilino]-4-oxobut-2-enoic acid
CID 27522223
N-[(Z)-1-[4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)phenyl]ethylideneamino]-5-propan-2-ylthiophene-3-carboxamide
CID 29037709
2-amino-4-methyl-N-[1-(4-piperidin-1-ylphenyl)ethylideneamino]-1,3-thiazole-5-carboxamide
CID 71899022
N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]pyridine-2-carboxamide
CID 7937167
2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]acetamide
CID 55352961
N-[(E)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]pyrimidin-2-amine
CID 97185147
4-amino-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]benzamide
CID 6244951
N-[1-[4-(azepan-1-yl)phenyl]ethylideneamino]-4-[(4-chloro-3-methylphenoxy)methyl]benzamide
CID 4843166

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]-5-propan-2-ylthiophene-3-carboxamide?
The IUPAC name of N-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]-5-propan-2-ylthiophene-3-carboxamide (CID 17310997) is N-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]-5-propan-2-ylthiophene-3-carboxamide.
What is the SMILES notation for N-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]-5-propan-2-ylthiophene-3-carboxamide?
The canonical SMILES for N-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]-5-propan-2-ylthiophene-3-carboxamide is C/C(=N\NC(=O)c1csc(C(C)C)c1)c1ccc(N2CCCCC2)cc1.
What is the InChIKey of N-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]-5-propan-2-ylthiophene-3-carboxamide?
The InChIKey is CYDJMLPPQHATEC-CJLVFECKSA-N. The full InChI is InChI=1S/C21H27N3OS/c1-15(2)20-13-18(14-26-20)21(25)23-22-16(3)17-7-9-19(10-8-17)24-11-5-4-6-12-24/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,23,25)/b22-16+.
What are the key properties of N-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]-5-propan-2-ylthiophene-3-carboxamide?
N-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]-5-propan-2-ylthiophene-3-carboxamide has a molecular weight of 369.53 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]-5-propan-2-ylthiophene-3-carboxamide is sourced from PubChem (CID 17310997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).