5-[(2R)-1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide

C19H26N4O3 — CID 129334180

IUPAC5-[(2R)-1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCNC(=O)c1ccc([C@H]2CCCCN2CC(=O)NCc2ccco2)n1C
InChIInChI=1S/C19H26N4O3/c1-20-19(25)17-9-8-15(22(17)2)16-7-3-4-10-23(16)13-18(24)21-12-14-6-5-11-26-14/h5-6,8-9,11,16H,3-4,7,10,12-13H2,1-2H3,(H,20,25)(H,21,24)/t16-/m1/s1
InChIKeyGTJPYXKYNUYRBV-MRXNPFEDSA-N
MW358.44 g/mol
LogP1.82
Rot. Bonds6

About 5-[(2R)-1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide

5-[(2R)-1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide (PubChem CID 129334180) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 5-[(2R)-1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name5-[(2R)-1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
PubChem CID129334180
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name5-[(2R)-1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCNC(=O)c1ccc([C@H]2CCCCN2CC(=O)NCc2ccco2)n1C
InChIInChI=1S/C19H26N4O3/c1-20-19(25)17-9-8-15(22(17)2)16-7-3-4-10-23(16)13-18(24)21-12-14-6-5-11-26-14/h5-6,8-9,11,16H,3-4,7,10,12-13H2,1-2H3,(H,20,25)(H,21,24)/t16-/m1/s1
InChIKeyGTJPYXKYNUYRBV-MRXNPFEDSA-N
XLogP1.82
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(2R)-1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide with MolForge

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Related Compounds

2-[(2R)-2-ethylpiperidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 94775933
N-(furan-2-ylmethyl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
CID 53338057
N,1-dimethyl-5-[(2S)-1-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]piperidin-2-yl]pyrrole-2-carboxamide
CID 129340562
1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 42926300
2-[2-[2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 71852465
3-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-N-(furan-2-ylmethyl)propanamide
CID 95120065
N,1-dimethyl-5-[(2S)-1-[2-[(3S)-2-oxooxolan-3-yl]ethyl]piperidin-2-yl]pyrrole-2-carboxamide
CID 129337672
5-[(2S)-1-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129343327
N,1-dimethyl-5-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyrrole-2-carboxamide
CID 129337137
2-(2-benzylpyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 42888028
2-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 47529832
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 51094831

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide?
The IUPAC name of 5-[(2R)-1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide (CID 129334180) is 5-[(2R)-1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for 5-[(2R)-1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide?
The canonical SMILES for 5-[(2R)-1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide is CNC(=O)c1ccc([C@H]2CCCCN2CC(=O)NCc2ccco2)n1C.
What is the InChIKey of 5-[(2R)-1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide?
The InChIKey is GTJPYXKYNUYRBV-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-20-19(25)17-9-8-15(22(17)2)16-7-3-4-10-23(16)13-18(24)21-12-14-6-5-11-26-14/h5-6,8-9,11,16H,3-4,7,10,12-13H2,1-2H3,(H,20,25)(H,21,24)/t16-/m1/s1.
What are the key properties of 5-[(2R)-1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide?
5-[(2R)-1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 129334180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).