(3R)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-oxopiperidine-3-carboxamide

C17H25N3O3 — CID 94165357

IUPAC(3R)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-oxopiperidine-3-carboxamide
SMILESO=C1CC[C@@H](C(=O)NC[C@@H](c2ccco2)N2CCCCC2)CN1
InChIInChI=1S/C17H25N3O3/c21-16-7-6-13(11-18-16)17(22)19-12-14(15-5-4-10-23-15)20-8-2-1-3-9-20/h4-5,10,13-14H,1-3,6-9,11-12H2,(H,18,21)(H,19,22)/t13-,14+/m1/s1
InChIKeyJGKOQAYBKPKZKI-KGLIPLIRSA-N
MW319.40 g/mol
LogP1.45
Rot. Bonds5

About (3R)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-oxopiperidine-3-carboxamide

(3R)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-oxopiperidine-3-carboxamide (PubChem CID 94165357) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is (3R)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-oxopiperidine-3-carboxamide
PubChem CID94165357
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name(3R)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-oxopiperidine-3-carboxamide
SMILESO=C1CC[C@@H](C(=O)NC[C@@H](c2ccco2)N2CCCCC2)CN1
InChIInChI=1S/C17H25N3O3/c21-16-7-6-13(11-18-16)17(22)19-12-14(15-5-4-10-23-15)20-8-2-1-3-9-20/h4-5,10,13-14H,1-3,6-9,11-12H2,(H,18,21)(H,19,22)/t13-,14+/m1/s1
InChIKeyJGKOQAYBKPKZKI-KGLIPLIRSA-N
XLogP1.45
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(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
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide
CID 7780302
(3S)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 94021840
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
4-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-1,4-dicarboxamide
CID 94164796
N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 18161471
4-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-1,4-dicarboxamide
CID 94164797
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17401751
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 71898014
(3S)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 51933493

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-oxopiperidine-3-carboxamide (CID 94165357) is (3R)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-oxopiperidine-3-carboxamide is O=C1CC[C@@H](C(=O)NC[C@@H](c2ccco2)N2CCCCC2)CN1.
What is the InChIKey of (3R)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is JGKOQAYBKPKZKI-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H25N3O3/c21-16-7-6-13(11-18-16)17(22)19-12-14(15-5-4-10-23-15)20-8-2-1-3-9-20/h4-5,10,13-14H,1-3,6-9,11-12H2,(H,18,21)(H,19,22)/t13-,14+/m1/s1.
What are the key properties of (3R)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-oxopiperidine-3-carboxamide?
(3R)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 319.40 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 94165357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).