[4-(4-chlorophenoxy)piperidin-1-yl]-[4-(dimethylamino)-2-methoxyphenyl]methanone

C21H25ClN2O3 — CID 166338888

IUPAC[4-(4-chlorophenoxy)piperidin-1-yl]-[4-(dimethylamino)-2-methoxyphenyl]methanone
SMILESCOc1cc(N(C)C)ccc1C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H25ClN2O3/c1-23(2)16-6-9-19(20(14-16)26-3)21(25)24-12-10-18(11-13-24)27-17-7-4-15(22)5-8-17/h4-9,14,18H,10-13H2,1-3H3
InChIKeyBSAVDOOKPKPRTA-UHFFFAOYSA-N
MW388.90 g/mol
LogP4.10
Rot. Bonds5

About [4-(4-chlorophenoxy)piperidin-1-yl]-[4-(dimethylamino)-2-methoxyphenyl]methanone

[4-(4-chlorophenoxy)piperidin-1-yl]-[4-(dimethylamino)-2-methoxyphenyl]methanone (PubChem CID 166338888) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is [4-(4-chlorophenoxy)piperidin-1-yl]-[4-(dimethylamino)-2-methoxyphenyl]methanone.

Molecular Properties

Compound Name[4-(4-chlorophenoxy)piperidin-1-yl]-[4-(dimethylamino)-2-methoxyphenyl]methanone
PubChem CID166338888
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC Name[4-(4-chlorophenoxy)piperidin-1-yl]-[4-(dimethylamino)-2-methoxyphenyl]methanone
SMILESCOc1cc(N(C)C)ccc1C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H25ClN2O3/c1-23(2)16-6-9-19(20(14-16)26-3)21(25)24-12-10-18(11-13-24)27-17-7-4-15(22)5-8-17/h4-9,14,18H,10-13H2,1-3H3
InChIKeyBSAVDOOKPKPRTA-UHFFFAOYSA-N
XLogP4.10
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(4-chlorophenoxy)piperidin-1-yl]-[4-(dimethylamino)-2-methoxyphenyl]methanone with MolForge

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Related Compounds

(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396841
(4-chloropiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 55183156
[4-(4-chlorophenoxy)piperidin-1-yl]-(5,6-dimethoxy-1H-indol-2-yl)methanone
CID 67170444
(4-bromopiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 80661673
(4-amino-5-chloro-2-methoxyphenyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119725126
4-(1-acetylpiperidin-4-yl)oxy-2-methoxybenzoyl chloride
CID 18914181
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
[4-(4-chlorophenoxy)piperidin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
CID 67169003
(5-chloro-2-methoxyphenyl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617163
5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-N,N-dimethylpyridine-3-carboxamide
CID 166281531
[4-(4-chlorophenoxy)piperidin-1-yl]-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 166338976
2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxoacetic acid
CID 69100024

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenoxy)piperidin-1-yl]-[4-(dimethylamino)-2-methoxyphenyl]methanone?
The IUPAC name of [4-(4-chlorophenoxy)piperidin-1-yl]-[4-(dimethylamino)-2-methoxyphenyl]methanone (CID 166338888) is [4-(4-chlorophenoxy)piperidin-1-yl]-[4-(dimethylamino)-2-methoxyphenyl]methanone.
What is the SMILES notation for [4-(4-chlorophenoxy)piperidin-1-yl]-[4-(dimethylamino)-2-methoxyphenyl]methanone?
The canonical SMILES for [4-(4-chlorophenoxy)piperidin-1-yl]-[4-(dimethylamino)-2-methoxyphenyl]methanone is COc1cc(N(C)C)ccc1C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-(4-chlorophenoxy)piperidin-1-yl]-[4-(dimethylamino)-2-methoxyphenyl]methanone?
The InChIKey is BSAVDOOKPKPRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3/c1-23(2)16-6-9-19(20(14-16)26-3)21(25)24-12-10-18(11-13-24)27-17-7-4-15(22)5-8-17/h4-9,14,18H,10-13H2,1-3H3.
What are the key properties of [4-(4-chlorophenoxy)piperidin-1-yl]-[4-(dimethylamino)-2-methoxyphenyl]methanone?
[4-(4-chlorophenoxy)piperidin-1-yl]-[4-(dimethylamino)-2-methoxyphenyl]methanone has a molecular weight of 388.90 g/mol, XLogP of 4.10, 5 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]-[4-(dimethylamino)-2-methoxyphenyl]methanone is sourced from PubChem (CID 166338888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).