N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide

C21H27N3O4 — CID 43006599

IUPACN-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESCOc1ccc(C(CNC(=O)CNC(=O)c2ccco2)N2CCCCC2)cc1
InChIInChI=1S/C21H27N3O4/c1-27-17-9-7-16(8-10-17)18(24-11-3-2-4-12-24)14-22-20(25)15-23-21(26)19-6-5-13-28-19/h5-10,13,18H,2-4,11-12,14-15H2,1H3,(H,22,25)(H,23,26)
InChIKeyKTCZBFXSXLLXDJ-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.36
Rot. Bonds8

About N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide

N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 43006599) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide
PubChem CID43006599
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC NameN-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESCOc1ccc(C(CNC(=O)CNC(=O)c2ccco2)N2CCCCC2)cc1
InChIInChI=1S/C21H27N3O4/c1-27-17-9-7-16(8-10-17)18(24-11-3-2-4-12-24)14-22-20(25)15-23-21(26)19-6-5-13-28-19/h5-10,13,18H,2-4,11-12,14-15H2,1H3,(H,22,25)(H,23,26)
InChIKeyKTCZBFXSXLLXDJ-UHFFFAOYSA-N
XLogP2.36
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide;hydrochloride
CID 52984979
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide;hydrochloride
CID 52984976
N-[5-[[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 35049364
3-fluoro-N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 78784235
1-(furan-2-carbonyl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide
CID 41089696
4-(furan-2-carbonyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N'-methylpiperazine-1-carboximidamide
CID 111168767
2-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 43006555
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 47101154
2-(4-chlorophenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 40897308
2-(2-hydroxyphenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 60615784
3,4-diethoxy-N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 43006598
2,4-difluoro-N-[2-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 134036254

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide (CID 43006599) is N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide is COc1ccc(C(CNC(=O)CNC(=O)c2ccco2)N2CCCCC2)cc1.
What is the InChIKey of N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is KTCZBFXSXLLXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-27-17-9-7-16(8-10-17)18(24-11-3-2-4-12-24)14-22-20(25)15-23-21(26)19-6-5-13-28-19/h5-10,13,18H,2-4,11-12,14-15H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide?
N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 385.46 g/mol, XLogP of 2.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 43006599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).