(5-methylfuran-3-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone

C15H22N2O2 — CID 114821961

IUPAC(5-methylfuran-3-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCC(C3CCCN3)CC2)co1
InChIInChI=1S/C15H22N2O2/c1-11-9-13(10-19-11)15(18)17-7-4-12(5-8-17)14-3-2-6-16-14/h9-10,12,14,16H,2-8H2,1H3
InChIKeyRKQDDTYODPNVCW-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.19
Rot. Bonds2

About (5-methylfuran-3-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone

(5-methylfuran-3-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone (PubChem CID 114821961) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (5-methylfuran-3-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-methylfuran-3-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
PubChem CID114821961
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(5-methylfuran-3-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCC(C3CCCN3)CC2)co1
InChIInChI=1S/C15H22N2O2/c1-11-9-13(10-19-11)15(18)17-7-4-12(5-8-17)14-3-2-6-16-14/h9-10,12,14,16H,2-8H2,1H3
InChIKeyRKQDDTYODPNVCW-UHFFFAOYSA-N
XLogP2.19
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-methylfuran-3-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259067
[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-(5-methylfuran-3-yl)methanone
CID 104978935
(2,5-dimethylfuran-3-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259463
(5-methyl-3-pyridinyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;dihydrochloride
CID 119999315
(4-hydroxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259419
(4-tert-butylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 119999802
(4-ethylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259247
(3,4-dichlorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259023
(4-ethoxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 119999509
(6-methyl-3-pyridinyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;dihydrochloride
CID 119999664
(4-ethylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 119999698
(4-methyl-3-nitrophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 119999434

Frequently Asked Questions

What is the IUPAC name of (5-methylfuran-3-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (5-methylfuran-3-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone (CID 114821961) is (5-methylfuran-3-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-methylfuran-3-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (5-methylfuran-3-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone is Cc1cc(C(=O)N2CCC(C3CCCN3)CC2)co1.
What is the InChIKey of (5-methylfuran-3-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The InChIKey is RKQDDTYODPNVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-9-13(10-19-11)15(18)17-7-4-12(5-8-17)14-3-2-6-16-14/h9-10,12,14,16H,2-8H2,1H3.
What are the key properties of (5-methylfuran-3-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
(5-methylfuran-3-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone has a molecular weight of 262.35 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylfuran-3-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 114821961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).