(2S)-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide

C23H28N4O4 — CID 55941269

IUPAC(2S)-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(CN1CCC(NC(=O)[C@@H]2CCCN2C(=O)c2ccco2)CC1)Nc1ccccc1
InChIInChI=1S/C23H28N4O4/c28-21(24-17-6-2-1-3-7-17)16-26-13-10-18(11-14-26)25-22(29)19-8-4-12-27(19)23(30)20-9-5-15-31-20/h1-3,5-7,9,15,18-19H,4,8,10-14,16H2,(H,24,28)(H,25,29)/t19-/m0/s1
InChIKeyBTWUJFKTJLJVFS-IBGZPJMESA-N
MW424.50 g/mol
LogP2.10
Rot. Bonds6

About (2S)-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide

(2S)-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 55941269) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is (2S)-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID55941269
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC Name(2S)-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(CN1CCC(NC(=O)[C@@H]2CCCN2C(=O)c2ccco2)CC1)Nc1ccccc1
InChIInChI=1S/C23H28N4O4/c28-21(24-17-6-2-1-3-7-17)16-26-13-10-18(11-14-26)25-22(29)19-8-4-12-27(19)23(30)20-9-5-15-31-20/h1-3,5-7,9,15,18-19H,4,8,10-14,16H2,(H,24,28)(H,25,29)/t19-/m0/s1
InChIKeyBTWUJFKTJLJVFS-IBGZPJMESA-N
XLogP2.10
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide with MolForge

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Related Compounds

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 16589868
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 773151
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclobutanecarboxamide
CID 16589812
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclohexanecarboxamide
CID 3220728
(2S)-1-(furan-2-carbonyl)-N-phenylmethoxypyrrolidine-2-carboxamide
CID 32581229
(2R)-N-(3-acetamidophenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 51980891
1-(furan-2-carbonyl)-N-[4-(4-methylphenoxy)phenyl]pyrrolidine-2-carboxamide
CID 24658906
N'-benzoyl-1-(furan-2-carbonyl)pyrrolidine-2-carbohydrazide
CID 24658797
1-(furan-2-carbonyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 50875716
(2R)-N-(2-benzamidoethyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 42879455
1-(furan-2-carbonyl)-N-(3-iodophenyl)pyrrolidine-2-carboxamide
CID 71902260
(3R)-3-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 32829511

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide (CID 55941269) is (2S)-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide is O=C(CN1CCC(NC(=O)[C@@H]2CCCN2C(=O)c2ccco2)CC1)Nc1ccccc1.
What is the InChIKey of (2S)-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is BTWUJFKTJLJVFS-IBGZPJMESA-N. The full InChI is InChI=1S/C23H28N4O4/c28-21(24-17-6-2-1-3-7-17)16-26-13-10-18(11-14-26)25-22(29)19-8-4-12-27(19)23(30)20-9-5-15-31-20/h1-3,5-7,9,15,18-19H,4,8,10-14,16H2,(H,24,28)(H,25,29)/t19-/m0/s1.
What are the key properties of (2S)-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide?
(2S)-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 55941269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).