N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-3-(phenylsulfanylmethyl)furan-2-carboxamide

C22H29N3O3S — CID 78868480

IUPACN-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
SMILESCCCNC(=O)CN1CCC(NC(=O)c2occc2CSc2ccccc2)CC1
InChIInChI=1S/C22H29N3O3S/c1-2-11-23-20(26)15-25-12-8-18(9-13-25)24-22(27)21-17(10-14-28-21)16-29-19-6-4-3-5-7-19/h3-7,10,14,18H,2,8-9,11-13,15-16H2,1H3,(H,23,26)(H,24,27)
InChIKeyAWLBEOKINQOWGA-UHFFFAOYSA-N
MW415.56 g/mol
LogP3.29
Rot. Bonds9

About N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-3-(phenylsulfanylmethyl)furan-2-carboxamide

N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-3-(phenylsulfanylmethyl)furan-2-carboxamide (PubChem CID 78868480) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-3-(phenylsulfanylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
PubChem CID78868480
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC NameN-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
SMILESCCCNC(=O)CN1CCC(NC(=O)c2occc2CSc2ccccc2)CC1
InChIInChI=1S/C22H29N3O3S/c1-2-11-23-20(26)15-25-12-8-18(9-13-25)24-22(27)21-17(10-14-28-21)16-29-19-6-4-3-5-7-19/h3-7,10,14,18H,2,8-9,11-13,15-16H2,1H3,(H,23,26)(H,24,27)
InChIKeyAWLBEOKINQOWGA-UHFFFAOYSA-N
XLogP3.29
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide
CID 119946633
2-(4-phenylpiperidin-1-yl)-N-propylacetamide
CID 134001849
1-ethyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]indole-2-carboxamide
CID 55959738
2-[4-[(3-methylsulfanylphenyl)carbamoylamino]piperidin-1-yl]-N-propylacetamide
CID 86986489
2-[4-[[N-ethyl-N'-(2-phenylsulfanylpropyl)carbamimidoyl]amino]piperidin-1-yl]-N-propylacetamide;hydroiodide
CID 111991728
3-(phenylsulfanylmethyl)-N-(pyrrolidin-2-ylmethyl)furan-2-carboxamide
CID 119512463
2-amino-2-(4-methylphenyl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]acetamide
CID 120669746
2-[4-[[2-[cyclopropyl(methyl)amino]acetyl]amino]piperidin-1-yl]-N-propylacetamide
CID 60504083
N'-(2-methylpropanoyl)-3-(phenylsulfanylmethyl)furan-2-carbohydrazide
CID 78830024
3-fluoro-4-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide
CID 39145303
2-hydroxy-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-4-propan-2-ylbenzamide
CID 55842838
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
CID 78879225

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-3-(phenylsulfanylmethyl)furan-2-carboxamide?
The IUPAC name of N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-3-(phenylsulfanylmethyl)furan-2-carboxamide (CID 78868480) is N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-3-(phenylsulfanylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-3-(phenylsulfanylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-3-(phenylsulfanylmethyl)furan-2-carboxamide is CCCNC(=O)CN1CCC(NC(=O)c2occc2CSc2ccccc2)CC1.
What is the InChIKey of N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-3-(phenylsulfanylmethyl)furan-2-carboxamide?
The InChIKey is AWLBEOKINQOWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-2-11-23-20(26)15-25-12-8-18(9-13-25)24-22(27)21-17(10-14-28-21)16-29-19-6-4-3-5-7-19/h3-7,10,14,18H,2,8-9,11-13,15-16H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-3-(phenylsulfanylmethyl)furan-2-carboxamide?
N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-3-(phenylsulfanylmethyl)furan-2-carboxamide has a molecular weight of 415.56 g/mol, XLogP of 3.29, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-3-(phenylsulfanylmethyl)furan-2-carboxamide is sourced from PubChem (CID 78868480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).