(3S)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide

C17H25N3O3 — CID 94021840

IUPAC(3S)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1C[C@@H](C(=O)NC[C@H](c2ccco2)N2CCCCC2)CC1=O
InChIInChI=1S/C17H25N3O3/c1-19-12-13(10-16(19)21)17(22)18-11-14(15-6-5-9-23-15)20-7-3-2-4-8-20/h5-6,9,13-14H,2-4,7-8,10-12H2,1H3,(H,18,22)/t13-,14+/m0/s1
InChIKeyOGXDPRFYQBLHDP-UONOGXRCSA-N
MW319.40 g/mol
LogP1.40
Rot. Bonds5

About (3S)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide

(3S)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 94021840) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is (3S)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID94021840
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name(3S)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1C[C@@H](C(=O)NC[C@H](c2ccco2)N2CCCCC2)CC1=O
InChIInChI=1S/C17H25N3O3/c1-19-12-13(10-16(19)21)17(22)18-11-14(15-6-5-9-23-15)20-7-3-2-4-8-20/h5-6,9,13-14H,2-4,7-8,10-12H2,1H3,(H,18,22)/t13-,14+/m0/s1
InChIKeyOGXDPRFYQBLHDP-UONOGXRCSA-N
XLogP1.40
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 71898014
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17401751
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide
CID 7780302
1-(4-ethylphenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 55332959
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55573087
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 112758677
(3R)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-oxopiperidine-3-carboxamide
CID 94165357
(3R)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-oxopiperidine-3-carboxamide
CID 94165356
(3R)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-oxopiperidine-3-carboxamide
CID 94152825
1-(cyclopropanecarbonyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-4-carboxamide
CID 51162652
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,1-dioxothiolane-3-carboxamide
CID 134057186
(3R)-1-methyl-N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 94092670

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 94021840) is (3S)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide is CN1C[C@@H](C(=O)NC[C@H](c2ccco2)N2CCCCC2)CC1=O.
What is the InChIKey of (3S)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OGXDPRFYQBLHDP-UONOGXRCSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-19-12-13(10-16(19)21)17(22)18-11-14(15-6-5-9-23-15)20-7-3-2-4-8-20/h5-6,9,13-14H,2-4,7-8,10-12H2,1H3,(H,18,22)/t13-,14+/m0/s1.
What are the key properties of (3S)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
(3S)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 319.40 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 94021840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).