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

C19H22ClN3O2 — CID 67169003

IUPAC[4-(4-chlorophenoxy)piperidin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
SMILESCN(C)c1ccc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)cn1
InChIInChI=1S/C19H22ClN3O2/c1-22(2)18-8-3-14(13-21-18)19(24)23-11-9-17(10-12-23)25-16-6-4-15(20)5-7-16/h3-8,13,17H,9-12H2,1-2H3
InChIKeyQWZHVRZHXGGSJP-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.48
Rot. Bonds4

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

[4-(4-chlorophenoxy)piperidin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone (PubChem CID 67169003) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is [4-(4-chlorophenoxy)piperidin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(4-chlorophenoxy)piperidin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
PubChem CID67169003
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name[4-(4-chlorophenoxy)piperidin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
SMILESCN(C)c1ccc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)cn1
InChIInChI=1S/C19H22ClN3O2/c1-22(2)18-8-3-14(13-21-18)19(24)23-11-9-17(10-12-23)25-16-6-4-15(20)5-7-16/h3-8,13,17H,9-12H2,1-2H3
InChIKeyQWZHVRZHXGGSJP-UHFFFAOYSA-N
XLogP3.48
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-N,N-dimethylpyridine-3-carboxamide
CID 166281531
[4-(4-chlorophenoxy)piperidin-1-yl]-(6-piperidin-1-yl-3-pyridinyl)methanone
CID 67168008
(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396841
[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
[6-(dimethylamino)-3-pyridinyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261774
[4-(4-chlorophenoxy)piperidin-1-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 67170194
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
CID 56820288
[4-(4-chlorophenoxy)piperidin-1-yl]-(1H-indazol-5-yl)methanone
CID 117073747
4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-N-(2-methoxyethyl)-N-methylbenzamide
CID 67169499
[6-[methyl(propyl)amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 56743978
[6-(dimethylamino)-3-pyridinyl]-[(4R)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]methanone
CID 129343902

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenoxy)piperidin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone?
The IUPAC name of [4-(4-chlorophenoxy)piperidin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone (CID 67169003) is [4-(4-chlorophenoxy)piperidin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone.
What is the SMILES notation for [4-(4-chlorophenoxy)piperidin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone?
The canonical SMILES for [4-(4-chlorophenoxy)piperidin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone is CN(C)c1ccc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)cn1.
What is the InChIKey of [4-(4-chlorophenoxy)piperidin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone?
The InChIKey is QWZHVRZHXGGSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-22(2)18-8-3-14(13-21-18)19(24)23-11-9-17(10-12-23)25-16-6-4-15(20)5-7-16/h3-8,13,17H,9-12H2,1-2H3.
What are the key properties of [4-(4-chlorophenoxy)piperidin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone?
[4-(4-chlorophenoxy)piperidin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone has a molecular weight of 359.86 g/mol, XLogP of 3.48, 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-(dimethylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 67169003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).