N-[2-(5-methylfuran-2-yl)ethyl]-4-piperidin-1-ylbenzamide

C19H24N2O2 — CID 91796019

IUPACN-[2-(5-methylfuran-2-yl)ethyl]-4-piperidin-1-ylbenzamide
SMILESCc1ccc(CCNC(=O)c2ccc(N3CCCCC3)cc2)o1
InChIInChI=1S/C19H24N2O2/c1-15-5-10-18(23-15)11-12-20-19(22)16-6-8-17(9-7-16)21-13-3-2-4-14-21/h5-10H,2-4,11-14H2,1H3,(H,20,22)
InChIKeyFFGQLKGWHBUXMW-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.55
Rot. Bonds5

About N-[2-(5-methylfuran-2-yl)ethyl]-4-piperidin-1-ylbenzamide

N-[2-(5-methylfuran-2-yl)ethyl]-4-piperidin-1-ylbenzamide (PubChem CID 91796019) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-[2-(5-methylfuran-2-yl)ethyl]-4-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-(5-methylfuran-2-yl)ethyl]-4-piperidin-1-ylbenzamide
PubChem CID91796019
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-[2-(5-methylfuran-2-yl)ethyl]-4-piperidin-1-ylbenzamide
SMILESCc1ccc(CCNC(=O)c2ccc(N3CCCCC3)cc2)o1
InChIInChI=1S/C19H24N2O2/c1-15-5-10-18(23-15)11-12-20-19(22)16-6-8-17(9-7-16)21-13-3-2-4-14-21/h5-10H,2-4,11-14H2,1H3,(H,20,22)
InChIKeyFFGQLKGWHBUXMW-UHFFFAOYSA-N
XLogP3.55
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(azepan-1-yl)phenyl]ethyl]-4-methylbenzamide
CID 16889356
N-[2-(2,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylbenzamide
CID 110615920
4-chloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide
CID 16889466
N-(4,4-dimethylpentyl)-4-pyrrolidin-1-ylbenzamide
CID 110617789
N-(furan-2-ylmethyl)-4-piperidin-1-ylbenzamide
CID 53282405
N-[2-(4-piperidin-1-ylphenyl)ethyl]pyridine-4-carboxamide
CID 110404973
N-[2-(diethylamino)ethyl]-4-pyrrolidin-1-ylbenzamide
CID 168514573
4-pyrrolidin-1-ylbenzohydrazide;hydrochloride
CID 163230065
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylbenzamide
CID 110295138
N-[3-(4-piperidin-1-ylphenyl)propyl]benzamide
CID 16890191
N-[3-[4-(azepan-1-yl)phenyl]propyl]benzamide
CID 16889785
N-[6-(hydroxyamino)-6-oxohexyl]-4-piperidin-1-ylbenzamide
CID 59561797

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methylfuran-2-yl)ethyl]-4-piperidin-1-ylbenzamide?
The IUPAC name of N-[2-(5-methylfuran-2-yl)ethyl]-4-piperidin-1-ylbenzamide (CID 91796019) is N-[2-(5-methylfuran-2-yl)ethyl]-4-piperidin-1-ylbenzamide.
What is the SMILES notation for N-[2-(5-methylfuran-2-yl)ethyl]-4-piperidin-1-ylbenzamide?
The canonical SMILES for N-[2-(5-methylfuran-2-yl)ethyl]-4-piperidin-1-ylbenzamide is Cc1ccc(CCNC(=O)c2ccc(N3CCCCC3)cc2)o1.
What is the InChIKey of N-[2-(5-methylfuran-2-yl)ethyl]-4-piperidin-1-ylbenzamide?
The InChIKey is FFGQLKGWHBUXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-15-5-10-18(23-15)11-12-20-19(22)16-6-8-17(9-7-16)21-13-3-2-4-14-21/h5-10H,2-4,11-14H2,1H3,(H,20,22).
What are the key properties of N-[2-(5-methylfuran-2-yl)ethyl]-4-piperidin-1-ylbenzamide?
N-[2-(5-methylfuran-2-yl)ethyl]-4-piperidin-1-ylbenzamide has a molecular weight of 312.41 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methylfuran-2-yl)ethyl]-4-piperidin-1-ylbenzamide is sourced from PubChem (CID 91796019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).