N-(furan-2-ylmethyl)-3-piperidin-1-ylpropanamide

C13H20N2O2 — CID 110688280

IUPACN-(furan-2-ylmethyl)-3-piperidin-1-ylpropanamide
SMILESO=C(CCN1CCCCC1)NCc1ccco1
InChIInChI=1S/C13H20N2O2/c16-13(14-11-12-5-4-10-17-12)6-9-15-7-2-1-3-8-15/h4-5,10H,1-3,6-9,11H2,(H,14,16)
InChIKeyKMPUQPKUIOKKSZ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.77
Rot. Bonds5

About N-(furan-2-ylmethyl)-3-piperidin-1-ylpropanamide

N-(furan-2-ylmethyl)-3-piperidin-1-ylpropanamide (PubChem CID 110688280) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-piperidin-1-ylpropanamide
PubChem CID110688280
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-(furan-2-ylmethyl)-3-piperidin-1-ylpropanamide
SMILESO=C(CCN1CCCCC1)NCc1ccco1
InChIInChI=1S/C13H20N2O2/c16-13(14-11-12-5-4-10-17-12)6-9-15-7-2-1-3-8-15/h4-5,10H,1-3,6-9,11H2,(H,14,16)
InChIKeyKMPUQPKUIOKKSZ-UHFFFAOYSA-N
XLogP1.77
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(azepan-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 109018473
N-(furan-2-ylmethyl)-4-oxo-4-piperidin-1-ylbutanamide
CID 865161
3-(azepan-1-yl)-N-(furan-2-ylmethyl)-3-oxopropanamide
CID 108945088
N-(furan-2-ylmethyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 109018456
3-(furan-2-ylmethylamino)-N-[3-(3-piperidin-1-ylpropanoylamino)phenyl]propanamide
CID 123393062
N-(furan-2-ylmethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 9102139
N-(furan-2-ylmethyl)-5-piperidin-1-ylsulfonylpentanamide
CID 110299780
N-(furan-2-ylmethyl)-3-hydroxypropanamide
CID 82111306
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 51094831
3-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-N-(furan-2-ylmethyl)propanamide
CID 95120065
2-(1,4-diazepan-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 43162513
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide
CID 24550982

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-piperidin-1-ylpropanamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-piperidin-1-ylpropanamide (CID 110688280) is N-(furan-2-ylmethyl)-3-piperidin-1-ylpropanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-piperidin-1-ylpropanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-piperidin-1-ylpropanamide is O=C(CCN1CCCCC1)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-piperidin-1-ylpropanamide?
The InChIKey is KMPUQPKUIOKKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c16-13(14-11-12-5-4-10-17-12)6-9-15-7-2-1-3-8-15/h4-5,10H,1-3,6-9,11H2,(H,14,16).
What are the key properties of N-(furan-2-ylmethyl)-3-piperidin-1-ylpropanamide?
N-(furan-2-ylmethyl)-3-piperidin-1-ylpropanamide has a molecular weight of 236.31 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 110688280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).