(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-phenylpropanamide

C28H29N3O4 — CID 55943091

IUPAC(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-phenylpropanamide
SMILESO=C(NCC(c1ccco1)N1CCCCC1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C28H29N3O4/c32-26(29-19-24(25-14-9-17-35-25)30-15-7-2-8-16-30)23(18-20-10-3-1-4-11-20)31-27(33)21-12-5-6-13-22(21)28(31)34/h1,3-6,9-14,17,23-24H,2,7-8,15-16,18-19H2,(H,29,32)/t23-,24?/m0/s1
InChIKeyAGMAKNGMJUZLAG-UXMRNZNESA-N
MW471.56 g/mol
LogP3.83
Rot. Bonds8

About (2S)-2-(1,3-dioxoisoindol-2-yl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-phenylpropanamide

(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-phenylpropanamide (PubChem CID 55943091) has the molecular formula C28H29N3O4 and a molecular weight of 471.56 g/mol. Its IUPAC name is (2S)-2-(1,3-dioxoisoindol-2-yl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-phenylpropanamide
PubChem CID55943091
Molecular FormulaC28H29N3O4
Molecular Weight471.56 g/mol
Exact Mass471.22
IUPAC Name(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-phenylpropanamide
SMILESO=C(NCC(c1ccco1)N1CCCCC1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C28H29N3O4/c32-26(29-19-24(25-14-9-17-35-25)30-15-7-2-8-16-30)23(18-20-10-3-1-4-11-20)31-27(33)21-12-5-6-13-22(21)28(31)34/h1,3-6,9-14,17,23-24H,2,7-8,15-16,18-19H2,(H,29,32)/t23-,24?/m0/s1
InChIKeyAGMAKNGMJUZLAG-UXMRNZNESA-N
XLogP3.83
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,2-diphenylacetamide;hydrochloride
CID 52984942
1-benzyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 24664373
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
CID 7780304
N-[(2S)-1-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 2481546
1-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-phenylurea
CID 112503366
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
(2R)-2-(dimethylamino)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide
CID 94956250
phenyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate
CID 112503288
2-(1,3-dioxoisoindol-2-yl)-N-[2-[[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]propyl]-3-phenylpropanamide
CID 4158596
2-(diethylamino)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-phenylacetamide
CID 56538321
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-phenylsulfanylacetamide
CID 35354735
N-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 5024298

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1,3-dioxoisoindol-2-yl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-(1,3-dioxoisoindol-2-yl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-phenylpropanamide (CID 55943091) is (2S)-2-(1,3-dioxoisoindol-2-yl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-(1,3-dioxoisoindol-2-yl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-(1,3-dioxoisoindol-2-yl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-phenylpropanamide is O=C(NCC(c1ccco1)N1CCCCC1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of (2S)-2-(1,3-dioxoisoindol-2-yl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-phenylpropanamide?
The InChIKey is AGMAKNGMJUZLAG-UXMRNZNESA-N. The full InChI is InChI=1S/C28H29N3O4/c32-26(29-19-24(25-14-9-17-35-25)30-15-7-2-8-16-30)23(18-20-10-3-1-4-11-20)31-27(33)21-12-5-6-13-22(21)28(31)34/h1,3-6,9-14,17,23-24H,2,7-8,15-16,18-19H2,(H,29,32)/t23-,24?/m0/s1.
What are the key properties of (2S)-2-(1,3-dioxoisoindol-2-yl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-phenylpropanamide?
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-phenylpropanamide has a molecular weight of 471.56 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1,3-dioxoisoindol-2-yl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-phenylpropanamide is sourced from PubChem (CID 55943091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).