2-[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]acetonitrile

C20H19ClN2O2 — CID 166281533

IUPAC2-[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]acetonitrile
SMILESN#CCc1ccc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C20H19ClN2O2/c21-17-5-7-18(8-6-17)25-19-10-13-23(14-11-19)20(24)16-3-1-15(2-4-16)9-12-22/h1-8,19H,9-11,13-14H2
InChIKeySUBNIBKGDLCBKI-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.09
Rot. Bonds4

About 2-[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]acetonitrile

2-[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]acetonitrile (PubChem CID 166281533) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is 2-[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]acetonitrile
PubChem CID166281533
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC Name2-[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]acetonitrile
SMILESN#CCc1ccc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C20H19ClN2O2/c21-17-5-7-18(8-6-17)25-19-10-13-23(14-11-19)20(24)16-3-1-15(2-4-16)9-12-22/h1-8,19H,9-11,13-14H2
InChIKeySUBNIBKGDLCBKI-UHFFFAOYSA-N
XLogP4.09
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone
CID 67170363
(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396841
5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]furan-2-carbonitrile
CID 166281549
N-[[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]methyl]-2,2-dimethylpropanamide
CID 67168820
[4-(4-chlorophenoxy)piperidin-1-yl]-[4-(1H-imidazol-2-yl)phenyl]methanone
CID 166335707
2-(4-cyclopropyloxyphenyl)acetonitrile
CID 84766439
[4-(4-chlorophenoxy)piperidin-1-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 67170194
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-N-(2-methoxyethyl)-N-methylbenzamide
CID 67169499
2-[5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-2-methylphenoxy]acetamide
CID 67168923
[4-(4-chlorophenoxy)piperidin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
CID 67169308
2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxoacetic acid
CID 69100024

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]acetonitrile?
The IUPAC name of 2-[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]acetonitrile (CID 166281533) is 2-[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]acetonitrile is N#CCc1ccc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 2-[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]acetonitrile?
The InChIKey is SUBNIBKGDLCBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c21-17-5-7-18(8-6-17)25-19-10-13-23(14-11-19)20(24)16-3-1-15(2-4-16)9-12-22/h1-8,19H,9-11,13-14H2.
What are the key properties of 2-[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]acetonitrile?
2-[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]acetonitrile has a molecular weight of 354.84 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]acetonitrile is sourced from PubChem (CID 166281533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).