(5-chlorofuran-2-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

C14H19ClN2O2 — CID 113226423

IUPAC(5-chlorofuran-2-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc(Cl)o1)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C14H19ClN2O2/c15-13-4-3-12(19-13)14(18)17-9-5-11(6-10-17)16-7-1-2-8-16/h3-4,11H,1-2,5-10H2
InChIKeySCTXQHPQJAUEHT-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.63
Rot. Bonds2

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

(5-chlorofuran-2-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (PubChem CID 113226423) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is (5-chlorofuran-2-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-chlorofuran-2-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
PubChem CID113226423
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name(5-chlorofuran-2-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc(Cl)o1)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C14H19ClN2O2/c15-13-4-3-12(19-13)14(18)17-9-5-11(6-10-17)16-7-1-2-8-16/h3-4,11H,1-2,5-10H2
InChIKeySCTXQHPQJAUEHT-UHFFFAOYSA-N
XLogP2.63
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(5-chlorofuran-2-yl)methanone
CID 80553743
(5-chlorofuran-2-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 113245179
(5-chlorofuran-2-yl)-(3-chloropiperidin-1-yl)methanone
CID 106689868
(5-chlorofuran-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551638
(5-chlorofuran-2-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 81483493
[4-(1-aminoethyl)piperidin-1-yl]-(5-chlorofuran-2-yl)methanone;hydrochloride
CID 119520111
[4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 70679311
(3-bromo-4-methylpiperidin-1-yl)-(5-chlorofuran-2-yl)methanone
CID 106690241
(5-chlorofuran-2-yl)-(9-hydroxy-3-azaspiro[5.5]undecan-3-yl)methanone
CID 128591781
(5-chlorofuran-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 113236859
methyl (3S)-1-(5-chlorofuran-2-carbonyl)piperidine-3-carboxylate
CID 78919544
1-[4-(5-chlorofuran-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 87030559

Frequently Asked Questions

What is the IUPAC name of (5-chlorofuran-2-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of (5-chlorofuran-2-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (CID 113226423) is (5-chlorofuran-2-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-chlorofuran-2-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for (5-chlorofuran-2-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is O=C(c1ccc(Cl)o1)N1CCC(N2CCCC2)CC1.
What is the InChIKey of (5-chlorofuran-2-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is SCTXQHPQJAUEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c15-13-4-3-12(19-13)14(18)17-9-5-11(6-10-17)16-7-1-2-8-16/h3-4,11H,1-2,5-10H2.
What are the key properties of (5-chlorofuran-2-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
(5-chlorofuran-2-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 282.77 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorofuran-2-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 113226423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).