N-[1-[2-(4-methylphenyl)quinoline-4-carbonyl]piperidin-4-yl]thiophene-3-carboxamide

C27H25N3O2S — CID 60578200

IUPACN-[1-[2-(4-methylphenyl)quinoline-4-carbonyl]piperidin-4-yl]thiophene-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N3CCC(NC(=O)c4ccsc4)CC3)c3ccccc3n2)cc1
InChIInChI=1S/C27H25N3O2S/c1-18-6-8-19(9-7-18)25-16-23(22-4-2-3-5-24(22)29-25)27(32)30-13-10-21(11-14-30)28-26(31)20-12-15-33-17-20/h2-9,12,15-17,21H,10-11,13-14H2,1H3,(H,28,31)
InChIKeyLQRIPJHYGUQBBW-UHFFFAOYSA-N
MW455.58 g/mol
LogP5.31
Rot. Bonds4

About N-[1-[2-(4-methylphenyl)quinoline-4-carbonyl]piperidin-4-yl]thiophene-3-carboxamide

N-[1-[2-(4-methylphenyl)quinoline-4-carbonyl]piperidin-4-yl]thiophene-3-carboxamide (PubChem CID 60578200) has the molecular formula C27H25N3O2S and a molecular weight of 455.58 g/mol. Its IUPAC name is N-[1-[2-(4-methylphenyl)quinoline-4-carbonyl]piperidin-4-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(4-methylphenyl)quinoline-4-carbonyl]piperidin-4-yl]thiophene-3-carboxamide
PubChem CID60578200
Molecular FormulaC27H25N3O2S
Molecular Weight455.58 g/mol
Exact Mass455.17
IUPAC NameN-[1-[2-(4-methylphenyl)quinoline-4-carbonyl]piperidin-4-yl]thiophene-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N3CCC(NC(=O)c4ccsc4)CC3)c3ccccc3n2)cc1
InChIInChI=1S/C27H25N3O2S/c1-18-6-8-19(9-7-18)25-16-23(22-4-2-3-5-24(22)29-25)27(32)30-13-10-21(11-14-30)28-26(31)20-12-15-33-17-20/h2-9,12,15-17,21H,10-11,13-14H2,1H3,(H,28,31)
InChIKeyLQRIPJHYGUQBBW-UHFFFAOYSA-N
XLogP5.31
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.58
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperidin-4-yl]thiophene-3-carboxamide
CID 60578287
N-[1-(4-phenylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 60578368
1-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]ethanone
CID 2344841
1-[4-(2-thiophen-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone
CID 42749505
piperidin-1-yl-(2-thiophen-3-ylquinolin-4-yl)methanone
CID 42749462
6-[4-(thiophene-3-carbonylamino)piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119182545
2-(4-chlorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]quinoline-4-carboxamide
CID 46539989
N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 60578146
N-cyclohexyl-4-(2-phenylquinoline-4-carbonyl)piperazine-1-carboxamide
CID 44758914
1-[2-(4-methylphenyl)quinoline-4-carbonyl]-N-pentylpiperidine-4-carboxamide
CID 39938186
N-[1-(2-methyl-1H-pyrrole-3-carbonyl)piperidin-4-yl]thiophene-3-carboxamide
CID 126783823
[4-(methylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone
CID 119559767

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-methylphenyl)quinoline-4-carbonyl]piperidin-4-yl]thiophene-3-carboxamide?
The IUPAC name of N-[1-[2-(4-methylphenyl)quinoline-4-carbonyl]piperidin-4-yl]thiophene-3-carboxamide (CID 60578200) is N-[1-[2-(4-methylphenyl)quinoline-4-carbonyl]piperidin-4-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[1-[2-(4-methylphenyl)quinoline-4-carbonyl]piperidin-4-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[1-[2-(4-methylphenyl)quinoline-4-carbonyl]piperidin-4-yl]thiophene-3-carboxamide is Cc1ccc(-c2cc(C(=O)N3CCC(NC(=O)c4ccsc4)CC3)c3ccccc3n2)cc1.
What is the InChIKey of N-[1-[2-(4-methylphenyl)quinoline-4-carbonyl]piperidin-4-yl]thiophene-3-carboxamide?
The InChIKey is LQRIPJHYGUQBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2S/c1-18-6-8-19(9-7-18)25-16-23(22-4-2-3-5-24(22)29-25)27(32)30-13-10-21(11-14-30)28-26(31)20-12-15-33-17-20/h2-9,12,15-17,21H,10-11,13-14H2,1H3,(H,28,31).
What are the key properties of N-[1-[2-(4-methylphenyl)quinoline-4-carbonyl]piperidin-4-yl]thiophene-3-carboxamide?
N-[1-[2-(4-methylphenyl)quinoline-4-carbonyl]piperidin-4-yl]thiophene-3-carboxamide has a molecular weight of 455.58 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-methylphenyl)quinoline-4-carbonyl]piperidin-4-yl]thiophene-3-carboxamide is sourced from PubChem (CID 60578200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).