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

C16H23N3O3 — CID 94152825

IUPAC(3R)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-oxopiperidine-3-carboxamide
SMILESO=C1CC[C@@H](C(=O)NC[C@@H](c2ccco2)N2CCCC2)CN1
InChIInChI=1S/C16H23N3O3/c20-15-6-5-12(10-17-15)16(21)18-11-13(14-4-3-9-22-14)19-7-1-2-8-19/h3-4,9,12-13H,1-2,5-8,10-11H2,(H,17,20)(H,18,21)/t12-,13+/m1/s1
InChIKeyIAYCYNKGVVTQHX-OLZOCXBDSA-N
MW305.38 g/mol
LogP1.06
Rot. Bonds5

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

(3R)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-oxopiperidine-3-carboxamide (PubChem CID 94152825) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is (3R)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-oxopiperidine-3-carboxamide
PubChem CID94152825
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name(3R)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-oxopiperidine-3-carboxamide
SMILESO=C1CC[C@@H](C(=O)NC[C@@H](c2ccco2)N2CCCC2)CN1
InChIInChI=1S/C16H23N3O3/c20-15-6-5-12(10-17-15)16(21)18-11-13(14-4-3-9-22-14)19-7-1-2-8-19/h3-4,9,12-13H,1-2,5-8,10-11H2,(H,17,20)(H,18,21)/t12-,13+/m1/s1
InChIKeyIAYCYNKGVVTQHX-OLZOCXBDSA-N
XLogP1.06
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.06
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-piperidin-1-ylethyl]-6-oxopiperidine-3-carboxamide
CID 94165357
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide
CID 7780302
4-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-1,4-dicarboxamide
CID 94164796
4-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-1,4-dicarboxamide
CID 94164797
(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
N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 18161471
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 71898014
N-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]cyclopropanecarboxamide
CID 7162829
1-(4-chlorobenzoyl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide
CID 41023335

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-oxopiperidine-3-carboxamide (CID 94152825) is (3R)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-oxopiperidine-3-carboxamide is O=C1CC[C@@H](C(=O)NC[C@@H](c2ccco2)N2CCCC2)CN1.
What is the InChIKey of (3R)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is IAYCYNKGVVTQHX-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H23N3O3/c20-15-6-5-12(10-17-15)16(21)18-11-13(14-4-3-9-22-14)19-7-1-2-8-19/h3-4,9,12-13H,1-2,5-8,10-11H2,(H,17,20)(H,18,21)/t12-,13+/m1/s1.
What are the key properties of (3R)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-oxopiperidine-3-carboxamide?
(3R)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 1.06, 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-pyrrolidin-1-ylethyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 94152825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).