1-[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-N-propylpiperidine-3-carboxamide

C26H34N4O4 — CID 47088179

IUPAC1-[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(CC(=O)Nc2ccc(C(=O)Nc3ccc(OCC)cc3)cc2)C1
InChIInChI=1S/C26H34N4O4/c1-3-15-27-25(32)20-6-5-16-30(17-20)18-24(31)28-21-9-7-19(8-10-21)26(33)29-22-11-13-23(14-12-22)34-4-2/h7-14,20H,3-6,15-18H2,1-2H3,(H,27,32)(H,28,31)(H,29,33)
InChIKeyIIOSWIJAYKTAJK-UHFFFAOYSA-N
MW466.58 g/mol
LogP3.51
Rot. Bonds10

About 1-[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-N-propylpiperidine-3-carboxamide

1-[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-N-propylpiperidine-3-carboxamide (PubChem CID 47088179) has the molecular formula C26H34N4O4 and a molecular weight of 466.58 g/mol. Its IUPAC name is 1-[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-N-propylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-N-propylpiperidine-3-carboxamide
PubChem CID47088179
Molecular FormulaC26H34N4O4
Molecular Weight466.58 g/mol
Exact Mass466.26
IUPAC Name1-[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(CC(=O)Nc2ccc(C(=O)Nc3ccc(OCC)cc3)cc2)C1
InChIInChI=1S/C26H34N4O4/c1-3-15-27-25(32)20-6-5-16-30(17-20)18-24(31)28-21-9-7-19(8-10-21)26(33)29-22-11-13-23(14-12-22)34-4-2/h7-14,20H,3-6,15-18H2,1-2H3,(H,27,32)(H,28,31)(H,29,33)
InChIKeyIIOSWIJAYKTAJK-UHFFFAOYSA-N
XLogP3.51
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-ethoxyanilino)-2-oxoethyl]-N-methylpiperidine-3-carboxamide
CID 166605733
N-tert-butyl-1-[2-(4-ethoxyanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 166602036
N-(4-ethoxyphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60642593
4-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 8930959
4-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 8900210
1-[4-(propanoylamino)benzoyl]-N-propylpiperidine-3-carboxamide
CID 46384498
(3R)-1-[4-(propanoylamino)benzoyl]-N-propylpiperidine-3-carboxamide
CID 92729051
ethyl (3S)-1-[2-(4-acetylanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 8533005
2-[4-[2-(4-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 20970562
N-(4-ethoxyphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119921935
N-(4-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 8544001
1-[2-(4-methoxyanilino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 43440705

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-N-propylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-N-propylpiperidine-3-carboxamide (CID 47088179) is 1-[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-N-propylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-N-propylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-N-propylpiperidine-3-carboxamide is CCCNC(=O)C1CCCN(CC(=O)Nc2ccc(C(=O)Nc3ccc(OCC)cc3)cc2)C1.
What is the InChIKey of 1-[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-N-propylpiperidine-3-carboxamide?
The InChIKey is IIOSWIJAYKTAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O4/c1-3-15-27-25(32)20-6-5-16-30(17-20)18-24(31)28-21-9-7-19(8-10-21)26(33)29-22-11-13-23(14-12-22)34-4-2/h7-14,20H,3-6,15-18H2,1-2H3,(H,27,32)(H,28,31)(H,29,33).
What are the key properties of 1-[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-N-propylpiperidine-3-carboxamide?
1-[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-N-propylpiperidine-3-carboxamide has a molecular weight of 466.58 g/mol, XLogP of 3.51, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-N-propylpiperidine-3-carboxamide is sourced from PubChem (CID 47088179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).