N-[(5-methylfuran-2-yl)methyl]-3-[1-(pyridin-2-ylmethyl)piperidin-3-yl]propanamide

C20H27N3O2 — CID 45240334

IUPACN-[(5-methylfuran-2-yl)methyl]-3-[1-(pyridin-2-ylmethyl)piperidin-3-yl]propanamide
SMILESCc1ccc(CNC(=O)CCC2CCCN(Cc3ccccn3)C2)o1
InChIInChI=1S/C20H27N3O2/c1-16-7-9-19(25-16)13-22-20(24)10-8-17-5-4-12-23(14-17)15-18-6-2-3-11-21-18/h2-3,6-7,9,11,17H,4-5,8,10,12-15H2,1H3,(H,22,24)
InChIKeyHGUPZKAVZXUHRW-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.29
Rot. Bonds7

About N-[(5-methylfuran-2-yl)methyl]-3-[1-(pyridin-2-ylmethyl)piperidin-3-yl]propanamide

N-[(5-methylfuran-2-yl)methyl]-3-[1-(pyridin-2-ylmethyl)piperidin-3-yl]propanamide (PubChem CID 45240334) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-3-[1-(pyridin-2-ylmethyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-3-[1-(pyridin-2-ylmethyl)piperidin-3-yl]propanamide
PubChem CID45240334
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-3-[1-(pyridin-2-ylmethyl)piperidin-3-yl]propanamide
SMILESCc1ccc(CNC(=O)CCC2CCCN(Cc3ccccn3)C2)o1
InChIInChI=1S/C20H27N3O2/c1-16-7-9-19(25-16)13-22-20(24)10-8-17-5-4-12-23(14-17)15-18-6-2-3-11-21-18/h2-3,6-7,9,11,17H,4-5,8,10,12-15H2,1H3,(H,22,24)
InChIKeyHGUPZKAVZXUHRW-UHFFFAOYSA-N
XLogP3.29
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-methylfuran-2-yl)methyl]-3-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]propanamide
CID 72939380
3-[1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 45214233
N-[(5-methylfuran-2-yl)methyl]-3-[1-(2-pyrimidin-2-ylsulfanylacetyl)piperidin-3-yl]propanamide
CID 45209342
3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 42565210
3-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 29182648
3-[(3R)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 29029161
2-oxo-N-[[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]butanamide
CID 95227434
N-[(5-methylfuran-2-yl)methyl]-3-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]propanamide
CID 45205021
1-benzyl-3-[[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]urea
CID 95201612
N-[(5-methylfuran-2-yl)methyl]-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-3-yl]propanamide
CID 45190460
[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanol;hydrochloride
CID 167311617
N-[(5-methylfuran-2-yl)methyl]-3-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]propanamide
CID 45211127

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-3-[1-(pyridin-2-ylmethyl)piperidin-3-yl]propanamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-3-[1-(pyridin-2-ylmethyl)piperidin-3-yl]propanamide (CID 45240334) is N-[(5-methylfuran-2-yl)methyl]-3-[1-(pyridin-2-ylmethyl)piperidin-3-yl]propanamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-3-[1-(pyridin-2-ylmethyl)piperidin-3-yl]propanamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-3-[1-(pyridin-2-ylmethyl)piperidin-3-yl]propanamide is Cc1ccc(CNC(=O)CCC2CCCN(Cc3ccccn3)C2)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-3-[1-(pyridin-2-ylmethyl)piperidin-3-yl]propanamide?
The InChIKey is HGUPZKAVZXUHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-16-7-9-19(25-16)13-22-20(24)10-8-17-5-4-12-23(14-17)15-18-6-2-3-11-21-18/h2-3,6-7,9,11,17H,4-5,8,10,12-15H2,1H3,(H,22,24).
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-3-[1-(pyridin-2-ylmethyl)piperidin-3-yl]propanamide?
N-[(5-methylfuran-2-yl)methyl]-3-[1-(pyridin-2-ylmethyl)piperidin-3-yl]propanamide has a molecular weight of 341.45 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-3-[1-(pyridin-2-ylmethyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 45240334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).