[4-(4-chlorophenoxy)piperidin-1-yl]-(6-piperidin-1-yl-3-pyridinyl)methanone

C22H26ClN3O2 — CID 67168008

IUPAC[4-(4-chlorophenoxy)piperidin-1-yl]-(6-piperidin-1-yl-3-pyridinyl)methanone
SMILESO=C(c1ccc(N2CCCCC2)nc1)N1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H26ClN3O2/c23-18-5-7-19(8-6-18)28-20-10-14-26(15-11-20)22(27)17-4-9-21(24-16-17)25-12-2-1-3-13-25/h4-9,16,20H,1-3,10-15H2
InChIKeyMVCOQMGVLBUWOE-UHFFFAOYSA-N
MW399.92 g/mol
LogP4.41
Rot. Bonds4

About [4-(4-chlorophenoxy)piperidin-1-yl]-(6-piperidin-1-yl-3-pyridinyl)methanone

[4-(4-chlorophenoxy)piperidin-1-yl]-(6-piperidin-1-yl-3-pyridinyl)methanone (PubChem CID 67168008) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is [4-(4-chlorophenoxy)piperidin-1-yl]-(6-piperidin-1-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(4-chlorophenoxy)piperidin-1-yl]-(6-piperidin-1-yl-3-pyridinyl)methanone
PubChem CID67168008
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC Name[4-(4-chlorophenoxy)piperidin-1-yl]-(6-piperidin-1-yl-3-pyridinyl)methanone
SMILESO=C(c1ccc(N2CCCCC2)nc1)N1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H26ClN3O2/c23-18-5-7-19(8-6-18)28-20-10-14-26(15-11-20)22(27)17-4-9-21(24-16-17)25-12-2-1-3-13-25/h4-9,16,20H,1-3,10-15H2
InChIKeyMVCOQMGVLBUWOE-UHFFFAOYSA-N
XLogP4.41
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(4-chlorophenoxy)piperidin-1-yl]-(6-piperidin-1-yl-3-pyridinyl)methanone with MolForge

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Related Compounds

[4-(4-chlorophenoxy)piperidin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
CID 67169003
[6-[4-(4-fluorophenoxy)piperidin-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133345853
[4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone
CID 67170363
[4-(4-chlorophenoxy)piperidin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
CID 67169308
[4-(4-fluorophenoxy)piperidin-1-yl]-(2-piperidin-1-ylpyrimidin-5-yl)methanone
CID 46971656
(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396841
[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 56756758
[4-(4-chlorophenoxy)piperidin-1-yl]-(3-chloro-2-pyridinyl)methanone
CID 166335688
[4-(4-chlorophenoxy)piperidin-1-yl]-(1H-indazol-5-yl)methanone
CID 117073747
cyclopropyl-[4-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenoxy]piperidin-1-yl]methanone
CID 42194632
1-[6-(azepan-1-yl)pyridine-3-carbonyl]piperidine-3-carboxylic acid
CID 102554636
5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-N,N-dimethylpyridine-3-carboxamide
CID 166281531

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenoxy)piperidin-1-yl]-(6-piperidin-1-yl-3-pyridinyl)methanone?
The IUPAC name of [4-(4-chlorophenoxy)piperidin-1-yl]-(6-piperidin-1-yl-3-pyridinyl)methanone (CID 67168008) is [4-(4-chlorophenoxy)piperidin-1-yl]-(6-piperidin-1-yl-3-pyridinyl)methanone.
What is the SMILES notation for [4-(4-chlorophenoxy)piperidin-1-yl]-(6-piperidin-1-yl-3-pyridinyl)methanone?
The canonical SMILES for [4-(4-chlorophenoxy)piperidin-1-yl]-(6-piperidin-1-yl-3-pyridinyl)methanone is O=C(c1ccc(N2CCCCC2)nc1)N1CCC(Oc2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-(4-chlorophenoxy)piperidin-1-yl]-(6-piperidin-1-yl-3-pyridinyl)methanone?
The InChIKey is MVCOQMGVLBUWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c23-18-5-7-19(8-6-18)28-20-10-14-26(15-11-20)22(27)17-4-9-21(24-16-17)25-12-2-1-3-13-25/h4-9,16,20H,1-3,10-15H2.
What are the key properties of [4-(4-chlorophenoxy)piperidin-1-yl]-(6-piperidin-1-yl-3-pyridinyl)methanone?
[4-(4-chlorophenoxy)piperidin-1-yl]-(6-piperidin-1-yl-3-pyridinyl)methanone has a molecular weight of 399.92 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenoxy)piperidin-1-yl]-(6-piperidin-1-yl-3-pyridinyl)methanone is sourced from PubChem (CID 67168008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).