(2S,4S)-4-amino-N-ethyl-1-[1-(furan-2-ylmethyl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide

C18H28N4O3 — CID 56720181

IUPAC(2S,4S)-4-amino-N-ethyl-1-[1-(furan-2-ylmethyl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](N)CN1C(=O)C1CCN(Cc2ccco2)CC1
InChIInChI=1S/C18H28N4O3/c1-2-20-17(23)16-10-14(19)11-22(16)18(24)13-5-7-21(8-6-13)12-15-4-3-9-25-15/h3-4,9,13-14,16H,2,5-8,10-12,19H2,1H3,(H,20,23)/t14-,16-/m0/s1
InChIKeyHOSRNKWYBJSAJJ-HOCLYGCPSA-N
MW348.45 g/mol
LogP0.56
Rot. Bonds5

About (2S,4S)-4-amino-N-ethyl-1-[1-(furan-2-ylmethyl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide

(2S,4S)-4-amino-N-ethyl-1-[1-(furan-2-ylmethyl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide (PubChem CID 56720181) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is (2S,4S)-4-amino-N-ethyl-1-[1-(furan-2-ylmethyl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-amino-N-ethyl-1-[1-(furan-2-ylmethyl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide
PubChem CID56720181
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name(2S,4S)-4-amino-N-ethyl-1-[1-(furan-2-ylmethyl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](N)CN1C(=O)C1CCN(Cc2ccco2)CC1
InChIInChI=1S/C18H28N4O3/c1-2-20-17(23)16-10-14(19)11-22(16)18(24)13-5-7-21(8-6-13)12-15-4-3-9-25-15/h3-4,9,13-14,16H,2,5-8,10-12,19H2,1H3,(H,20,23)/t14-,16-/m0/s1
InChIKeyHOSRNKWYBJSAJJ-HOCLYGCPSA-N
XLogP0.56
TPSA91.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S,4S)-4-amino-N-ethyl-1-[1-(furan-2-ylmethyl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone
CID 97147422
[(2R)-2-butyl-2,5-dihydropyrrol-1-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone
CID 95122157
[1-(furan-2-ylmethyl)piperidin-4-yl]-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]methanone
CID 97140501
1-(furan-2-ylmethyl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
CID 72847764
1-(furan-2-ylmethyl)pyrrolidin-3-amine;dihydrochloride
CID 53422470
[1-(furan-2-ylmethyl)piperidin-4-yl]-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 56915482
N-[(1,1-dioxothiolan-3-yl)methyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 72887195
N-(2-ethylsulfanylphenyl)-1-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 131949045
3-ethyl-1-(furan-2-ylmethyl)pyrrolidine
CID 130727430
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 91775679
[4-(furan-2-ylmethyl)piperazin-1-yl]-[1-(oxan-4-yl)piperidin-4-yl]methanone
CID 74248102
[4-(furan-2-ylmethyl)piperazin-1-yl]-(2-methylpiperidin-4-yl)methanone
CID 106739296

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-N-ethyl-1-[1-(furan-2-ylmethyl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-amino-N-ethyl-1-[1-(furan-2-ylmethyl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide (CID 56720181) is (2S,4S)-4-amino-N-ethyl-1-[1-(furan-2-ylmethyl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-amino-N-ethyl-1-[1-(furan-2-ylmethyl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-amino-N-ethyl-1-[1-(furan-2-ylmethyl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide is CCNC(=O)[C@@H]1C[C@H](N)CN1C(=O)C1CCN(Cc2ccco2)CC1.
What is the InChIKey of (2S,4S)-4-amino-N-ethyl-1-[1-(furan-2-ylmethyl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide?
The InChIKey is HOSRNKWYBJSAJJ-HOCLYGCPSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-2-20-17(23)16-10-14(19)11-22(16)18(24)13-5-7-21(8-6-13)12-15-4-3-9-25-15/h3-4,9,13-14,16H,2,5-8,10-12,19H2,1H3,(H,20,23)/t14-,16-/m0/s1.
What are the key properties of (2S,4S)-4-amino-N-ethyl-1-[1-(furan-2-ylmethyl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide?
(2S,4S)-4-amino-N-ethyl-1-[1-(furan-2-ylmethyl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-N-ethyl-1-[1-(furan-2-ylmethyl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 56720181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).