(2R,4S)-1-acetyl-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-hydroxypyrrolidine-2-carboxamide

C18H27N3O4 — CID 125138828

IUPAC(2R,4S)-1-acetyl-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NC[C@H](c1ccco1)N1CCCCC1
InChIInChI=1S/C18H27N3O4/c1-13(22)21-12-14(23)10-15(21)18(24)19-11-16(17-6-5-9-25-17)20-7-3-2-4-8-20/h5-6,9,14-16,23H,2-4,7-8,10-12H2,1H3,(H,19,24)/t14-,15+,16+/m0/s1
InChIKeyLOHAJSGOZOYRPR-ARFHVFGLSA-N
MW349.43 g/mol
LogP0.90
Rot. Bonds5

About (2R,4S)-1-acetyl-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-hydroxypyrrolidine-2-carboxamide

(2R,4S)-1-acetyl-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 125138828) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is (2R,4S)-1-acetyl-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4S)-1-acetyl-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID125138828
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name(2R,4S)-1-acetyl-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NC[C@H](c1ccco1)N1CCCCC1
InChIInChI=1S/C18H27N3O4/c1-13(22)21-12-14(23)10-15(21)18(24)19-11-16(17-6-5-9-25-17)20-7-3-2-4-8-20/h5-6,9,14-16,23H,2-4,7-8,10-12H2,1H3,(H,19,24)/t14-,15+,16+/m0/s1
InChIKeyLOHAJSGOZOYRPR-ARFHVFGLSA-N
XLogP0.90
TPSA86.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide
CID 7780302
1-(2,2-dimethylpropanoyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyrrolidine-2-carboxamide
CID 55605802
N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 18161471
(3S)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 94021840
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]butanamide
CID 112503325
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 93157841
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 60636600
3-acetamido-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]propanamide
CID 110353373
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17401751
1-(cyclopropanecarbonyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-4-carboxamide
CID 51162652
1-(1-acetylpiperidin-4-yl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 95130212
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,1-dioxothiolane-3-carboxamide
CID 134057186

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-1-acetyl-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of (2R,4S)-1-acetyl-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-hydroxypyrrolidine-2-carboxamide (CID 125138828) is (2R,4S)-1-acetyl-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4S)-1-acetyl-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4S)-1-acetyl-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-hydroxypyrrolidine-2-carboxamide is CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NC[C@H](c1ccco1)N1CCCCC1.
What is the InChIKey of (2R,4S)-1-acetyl-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is LOHAJSGOZOYRPR-ARFHVFGLSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-13(22)21-12-14(23)10-15(21)18(24)19-11-16(17-6-5-9-25-17)20-7-3-2-4-8-20/h5-6,9,14-16,23H,2-4,7-8,10-12H2,1H3,(H,19,24)/t14-,15+,16+/m0/s1.
What are the key properties of (2R,4S)-1-acetyl-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-hydroxypyrrolidine-2-carboxamide?
(2R,4S)-1-acetyl-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-1-acetyl-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 125138828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).