5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]furan-2-carbonitrile

C17H15ClN2O3 — CID 166281549

IUPAC5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]furan-2-carbonitrile
SMILESN#Cc1ccc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)o1
InChIInChI=1S/C17H15ClN2O3/c18-12-1-3-13(4-2-12)22-14-7-9-20(10-8-14)17(21)16-6-5-15(11-19)23-16/h1-6,14H,7-10H2
InChIKeyRXQSOMJBHFCRGY-UHFFFAOYSA-N
MW330.77 g/mol
LogP3.49
Rot. Bonds3

About 5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]furan-2-carbonitrile

5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]furan-2-carbonitrile (PubChem CID 166281549) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is 5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]furan-2-carbonitrile
PubChem CID166281549
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC Name5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]furan-2-carbonitrile
SMILESN#Cc1ccc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)o1
InChIInChI=1S/C17H15ClN2O3/c18-12-1-3-13(4-2-12)22-14-7-9-20(10-8-14)17(21)16-6-5-15(11-19)23-16/h1-6,14H,7-10H2
InChIKeyRXQSOMJBHFCRGY-UHFFFAOYSA-N
XLogP3.49
TPSA66.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]acetonitrile
CID 166281533
1-benzofuran-2-yl-[4-(4-chlorophenoxy)piperidin-1-yl]methanone
CID 53235473
2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxoacetic acid
CID 69100024
[4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone
CID 67170363
(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396841
[4-(4-chlorophenoxy)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 166338859
[4-(4-chlorophenoxy)piperidin-1-yl]-(3-chloro-2-pyridinyl)methanone
CID 166335688
(2S)-2-amino-1-[4-(4-chlorophenoxy)piperidin-1-yl]propan-1-one
CID 67529016
N-[[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]methyl]-2,2-dimethylpropanamide
CID 67168820
[4-(4-chlorophenoxy)piperidin-1-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 67170194
5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 166281480
(4-chloro-5-methyl-1H-pyrazol-3-yl)-[4-(4-chlorophenoxy)piperidin-1-yl]methanone
CID 67168484

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]furan-2-carbonitrile?
The IUPAC name of 5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]furan-2-carbonitrile (CID 166281549) is 5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]furan-2-carbonitrile?
The canonical SMILES for 5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]furan-2-carbonitrile is N#Cc1ccc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)o1.
What is the InChIKey of 5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]furan-2-carbonitrile?
The InChIKey is RXQSOMJBHFCRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c18-12-1-3-13(4-2-12)22-14-7-9-20(10-8-14)17(21)16-6-5-15(11-19)23-16/h1-6,14H,7-10H2.
What are the key properties of 5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]furan-2-carbonitrile?
5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]furan-2-carbonitrile has a molecular weight of 330.77 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]furan-2-carbonitrile is sourced from PubChem (CID 166281549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).