N-(furan-2-ylmethyl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propanamide

C16H27N3O2 — CID 63853927

IUPACN-(furan-2-ylmethyl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
SMILESCNC(C)C1CCCN(C(C)C(=O)NCc2ccco2)C1
InChIInChI=1S/C16H27N3O2/c1-12(17-3)14-6-4-8-19(11-14)13(2)16(20)18-10-15-7-5-9-21-15/h5,7,9,12-14,17H,4,6,8,10-11H2,1-3H3,(H,18,20)
InChIKeyUNPVUUVJRYSQIX-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.60
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propanamide

N-(furan-2-ylmethyl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propanamide (PubChem CID 63853927) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
PubChem CID63853927
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-(furan-2-ylmethyl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
SMILESCNC(C)C1CCCN(C(C)C(=O)NCc2ccco2)C1
InChIInChI=1S/C16H27N3O2/c1-12(17-3)14-6-4-8-19(11-14)13(2)16(20)18-10-15-7-5-9-21-15/h5,7,9,12-14,17H,4,6,8,10-11H2,1-3H3,(H,18,20)
InChIKeyUNPVUUVJRYSQIX-UHFFFAOYSA-N
XLogP1.60
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-formylpiperidin-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 62656030
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)propanamide
CID 115301891
methyl 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylate
CID 112730735
2-(4-cyclohexylpiperazin-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 3824270
N-butan-2-yl-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
CID 55258571
methyl 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
CID 62026904
1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3-methylpiperidine-2-carboxylic acid
CID 107072033
N-(furan-2-ylmethyl)-1-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 94821891
2-(cyclobutylamino)-N-(furan-2-ylmethyl)propanamide
CID 62414574
N-(furan-2-ylmethyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide
CID 62274448
2-(cyclopropylamino)-N-(furan-2-ylmethyl)propanamide
CID 43084580
(2S)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(furan-2-ylmethyl)propanamide
CID 95284417

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propanamide (CID 63853927) is N-(furan-2-ylmethyl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propanamide is CNC(C)C1CCCN(C(C)C(=O)NCc2ccco2)C1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propanamide?
The InChIKey is UNPVUUVJRYSQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-12(17-3)14-6-4-8-19(11-14)13(2)16(20)18-10-15-7-5-9-21-15/h5,7,9,12-14,17H,4,6,8,10-11H2,1-3H3,(H,18,20).
What are the key properties of N-(furan-2-ylmethyl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propanamide?
N-(furan-2-ylmethyl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propanamide has a molecular weight of 293.41 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propanamide is sourced from PubChem (CID 63853927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).