N-[1-[(1S)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]furan-3-carboxamide

C18H21N3O3 — CID 95584264

IUPACN-[1-[(1S)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]furan-3-carboxamide
SMILESNC(=O)[C@H](c1ccccc1)N1CCC(NC(=O)c2ccoc2)CC1
InChIInChI=1S/C18H21N3O3/c19-17(22)16(13-4-2-1-3-5-13)21-9-6-15(7-10-21)20-18(23)14-8-11-24-12-14/h1-5,8,11-12,15-16H,6-7,9-10H2,(H2,19,22)(H,20,23)/t16-/m0/s1
InChIKeyGWDNRYKWXLMDMO-INIZCTEOSA-N
MW327.38 g/mol
LogP1.70
Rot. Bonds5

About N-[1-[(1S)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]furan-3-carboxamide

N-[1-[(1S)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]furan-3-carboxamide (PubChem CID 95584264) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[1-[(1S)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(1S)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]furan-3-carboxamide
PubChem CID95584264
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[1-[(1S)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]furan-3-carboxamide
SMILESNC(=O)[C@H](c1ccccc1)N1CCC(NC(=O)c2ccoc2)CC1
InChIInChI=1S/C18H21N3O3/c19-17(22)16(13-4-2-1-3-5-13)21-9-6-15(7-10-21)20-18(23)14-8-11-24-12-14/h1-5,8,11-12,15-16H,6-7,9-10H2,(H2,19,22)(H,20,23)/t16-/m0/s1
InChIKeyGWDNRYKWXLMDMO-INIZCTEOSA-N
XLogP1.70
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[(1S)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]furan-3-carboxamide with MolForge

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Related Compounds

N-[1-[(2R)-1-amino-1-oxopropan-2-yl]piperidin-4-yl]furan-3-carboxamide
CID 94200129
(2R)-2-[4-(furan-3-carbonyl)piperazin-1-yl]-2-phenylacetamide
CID 34955258
N-cyclopropylfuran-3-carboxamide
CID 60698418
N-[1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 95583405
(2R)-2-[1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide
CID 129489061
N-(4-oxocyclohexyl)furan-3-carboxamide
CID 43652764
1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidine-4-carboxamide
CID 33401914
N-[1-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperidin-4-yl]furan-3-carboxamide
CID 50845882
N-[(3R)-1-(2-bromophenyl)pyrrolidin-3-yl]furan-3-carboxamide
CID 95620420
N-[1-(3-methylbutanoyl)piperidin-4-yl]furan-3-carboxamide
CID 47073768
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]furan-3-carboxamide
CID 136577828
3-amino-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119702922

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1S)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]furan-3-carboxamide?
The IUPAC name of N-[1-[(1S)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]furan-3-carboxamide (CID 95584264) is N-[1-[(1S)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]furan-3-carboxamide.
What is the SMILES notation for N-[1-[(1S)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]furan-3-carboxamide?
The canonical SMILES for N-[1-[(1S)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]furan-3-carboxamide is NC(=O)[C@H](c1ccccc1)N1CCC(NC(=O)c2ccoc2)CC1.
What is the InChIKey of N-[1-[(1S)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]furan-3-carboxamide?
The InChIKey is GWDNRYKWXLMDMO-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21N3O3/c19-17(22)16(13-4-2-1-3-5-13)21-9-6-15(7-10-21)20-18(23)14-8-11-24-12-14/h1-5,8,11-12,15-16H,6-7,9-10H2,(H2,19,22)(H,20,23)/t16-/m0/s1.
What are the key properties of N-[1-[(1S)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]furan-3-carboxamide?
N-[1-[(1S)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]furan-3-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1S)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]furan-3-carboxamide is sourced from PubChem (CID 95584264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).