N-[(2-ethoxyphenyl)methyl]-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide

C24H27N3O3S — CID 3241449

IUPACN-[(2-ethoxyphenyl)methyl]-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCCOc1ccccc1CNC(=O)C1CCN(C(=O)c2sccc2-n2cccc2)CC1
InChIInChI=1S/C24H27N3O3S/c1-2-30-21-8-4-3-7-19(21)17-25-23(28)18-9-14-27(15-10-18)24(29)22-20(11-16-31-22)26-12-5-6-13-26/h3-8,11-13,16,18H,2,9-10,14-15,17H2,1H3,(H,25,28)
InChIKeyVIEPOUFBBYKIHK-UHFFFAOYSA-N
MW437.57 g/mol
LogP4.11
Rot. Bonds7

About N-[(2-ethoxyphenyl)methyl]-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide

N-[(2-ethoxyphenyl)methyl]-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 3241449) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID3241449
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC NameN-[(2-ethoxyphenyl)methyl]-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCCOc1ccccc1CNC(=O)C1CCN(C(=O)c2sccc2-n2cccc2)CC1
InChIInChI=1S/C24H27N3O3S/c1-2-30-21-8-4-3-7-19(21)17-25-23(28)18-9-14-27(15-10-18)24(29)22-20(11-16-31-22)26-12-5-6-13-26/h3-8,11-13,16,18H,2,9-10,14-15,17H2,1H3,(H,25,28)
InChIKeyVIEPOUFBBYKIHK-UHFFFAOYSA-N
XLogP4.11
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(R)-2-(4-fluorophenoxy)-N-(1-(thiophen-2-yl)ethyl)nicotinamide
CID 18734933
N'-(2-methoxybenzoyl)-3-(1H-pyrrol-1-yl)-2-thiophenecarbohydrazide
CID 1481208
N-(4-methoxyphenyl)-2,5-dimethyl-1-(2-thienylmethyl)-1H-pyrrole-3-carboxamide
CID 2742293
5-[[3-(Thiophene-2-carbonylamino)phenyl]methoxy]pyridine-3-carboxamide
CID 124156582
1-Methyl-4-[3-[3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]-2,3-dihydropyrido[3,4-e][1,4]diazepin-5-one
CID 142566986
6-[4-[(2-Thiophen-2-ylethylamino)methyl]phenoxy]pyridine-3-carboxamide
CID 68746483
N-Cyclopentyl-2-[(2-methoxy-benzyl)-(2-thiophen-2-yl-acetyl)-amino]-2-pyridin-4-yl-acetamide
CID 3202578
then-2-oyl-Gly-DL-N(Ph(4-OMe))Gly(pyrid-3-yl)-NHcPent
CID 3211135
N-(4-ethoxyphenyl)-3-(1H-pyrrol-1-yl)thiophene-2-carboxamide
CID 16193596
7-[(4-Methoxyphenyl)amino]-6-[(thiophen-2-YL)methyl]-5H,6H,7H-pyrrolo[3,4-B]pyridin-5-one
CID 16193765
N-[(2S)-1-[[(2S)-6-amino-1-[[(1R)-2-amino-2-oxo-1-(4-phenylmethoxyphenyl)ethyl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-3-pyrrol-1-ylthiophene-2-carboxamide
CID 127037751
N-(4-methoxyphenyl)-3-(1H-pyrrol-1-yl)-2-thiophenecarboxamide
CID 3753051

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide (CID 3241449) is N-[(2-ethoxyphenyl)methyl]-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide is CCOc1ccccc1CNC(=O)C1CCN(C(=O)c2sccc2-n2cccc2)CC1.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is VIEPOUFBBYKIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-2-30-21-8-4-3-7-19(21)17-25-23(28)18-9-14-27(15-10-18)24(29)22-20(11-16-31-22)26-12-5-6-13-26/h3-8,11-13,16,18H,2,9-10,14-15,17H2,1H3,(H,25,28).
What are the key properties of N-[(2-ethoxyphenyl)methyl]-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide?
N-[(2-ethoxyphenyl)methyl]-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 437.57 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 3241449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).