N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]furan-2-carboxamide

C13H18N2O3 — CID 51552986

IUPACN-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]furan-2-carboxamide
SMILESC[C@H]1CCCN(C(=O)CNC(=O)c2ccco2)C1
InChIInChI=1S/C13H18N2O3/c1-10-4-2-6-15(9-10)12(16)8-14-13(17)11-5-3-7-18-11/h3,5,7,10H,2,4,6,8-9H2,1H3,(H,14,17)/t10-/m0/s1
InChIKeyWUOJFBZYXZKRIX-JTQLQIEISA-N
MW250.30 g/mol
LogP1.27
Rot. Bonds3

About N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]furan-2-carboxamide

N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]furan-2-carboxamide (PubChem CID 51552986) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]furan-2-carboxamide
PubChem CID51552986
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]furan-2-carboxamide
SMILESC[C@H]1CCCN(C(=O)CNC(=O)c2ccco2)C1
InChIInChI=1S/C13H18N2O3/c1-10-4-2-6-15(9-10)12(16)8-14-13(17)11-5-3-7-18-11/h3,5,7,10H,2,4,6,8-9H2,1H3,(H,14,17)/t10-/m0/s1
InChIKeyWUOJFBZYXZKRIX-JTQLQIEISA-N
XLogP1.27
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3S)-1-[2-(furan-2-carbonylamino)acetyl]piperidine-3-carboxylate
CID 78919778
1-[2-(furan-2-carbonylamino)acetyl]piperidine-3-carboxylic acid
CID 43171014
5-bromo-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide
CID 51161739
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 6461144
N-[2-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 51317520
N-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 38491111
N-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]furan-2-carboxamide
CID 43403339
1-[2-(furan-2-carbonylamino)acetyl]-3-methylpiperidine-3-carboxylic acid
CID 63134020
4-(furan-2-carbonyl)-N'-methyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]piperazine-1-carboximidamide
CID 111169022
2-[1-[2-(furan-2-carbonylamino)acetyl]pyrrolidin-2-yl]acetic acid
CID 61371275
1-butanoyl-N-[2-(furan-2-carbonylamino)ethyl]piperidine-3-carboxamide
CID 55883255
N-[4-[[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]phenyl]furan-2-carboxamide
CID 111144706

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]furan-2-carboxamide (CID 51552986) is N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]furan-2-carboxamide is C[C@H]1CCCN(C(=O)CNC(=O)c2ccco2)C1.
What is the InChIKey of N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is WUOJFBZYXZKRIX-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N2O3/c1-10-4-2-6-15(9-10)12(16)8-14-13(17)11-5-3-7-18-11/h3,5,7,10H,2,4,6,8-9H2,1H3,(H,14,17)/t10-/m0/s1.
What are the key properties of N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]furan-2-carboxamide?
N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 51552986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).