[1-(3-chloro-5-methoxy-4-propoxybenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone

C24H28ClNO4 — CID 60552365

IUPAC[1-(3-chloro-5-methoxy-4-propoxybenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone
SMILESCCCOc1c(Cl)cc(C(=O)N2CCC(C(=O)c3ccc(C)cc3)CC2)cc1OC
InChIInChI=1S/C24H28ClNO4/c1-4-13-30-23-20(25)14-19(15-21(23)29-3)24(28)26-11-9-18(10-12-26)22(27)17-7-5-16(2)6-8-17/h5-8,14-15,18H,4,9-13H2,1-3H3
InChIKeySCLQTXBKJMVWPZ-UHFFFAOYSA-N
MW429.94 g/mol
LogP5.18
Rot. Bonds7

About [1-(3-chloro-5-methoxy-4-propoxybenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone

[1-(3-chloro-5-methoxy-4-propoxybenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone (PubChem CID 60552365) has the molecular formula C24H28ClNO4 and a molecular weight of 429.94 g/mol. Its IUPAC name is [1-(3-chloro-5-methoxy-4-propoxybenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[1-(3-chloro-5-methoxy-4-propoxybenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone
PubChem CID60552365
Molecular FormulaC24H28ClNO4
Molecular Weight429.94 g/mol
Exact Mass429.17
IUPAC Name[1-(3-chloro-5-methoxy-4-propoxybenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone
SMILESCCCOc1c(Cl)cc(C(=O)N2CCC(C(=O)c3ccc(C)cc3)CC2)cc1OC
InChIInChI=1S/C24H28ClNO4/c1-4-13-30-23-20(25)14-19(15-21(23)29-3)24(28)26-11-9-18(10-12-26)22(27)17-7-5-16(2)6-8-17/h5-8,14-15,18H,4,9-13H2,1-3H3
InChIKeySCLQTXBKJMVWPZ-UHFFFAOYSA-N
XLogP5.18
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.94
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chloro-5-methoxy-4-propoxyphenyl)-1-[4-(4-methylbenzoyl)piperidin-1-yl]prop-2-en-1-one
CID 55978664
1-(3-chloro-4-ethoxy-5-methoxybenzoyl)piperidine-4-carboxylic acid
CID 45427120
(4-aminopiperidin-1-yl)-(4-butoxy-3-chloro-5-methoxyphenyl)methanone;hydrochloride
CID 119376097
(4-amino-3,3-dimethylpiperidin-1-yl)-(3-chloro-5-methoxy-4-propoxyphenyl)methanone;hydrochloride
CID 120815276
(3-chloro-4-ethoxy-5-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 78768166
(3-chloro-5-methoxy-4-propoxyphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120998089
(3-chloro-5-ethoxy-4-propoxyphenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 60559152
(3-chloro-5-ethoxy-4-propoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560795
[1-(4-methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 2741000
3-[1-(3-chloro-5-methoxy-4-propoxybenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 55432764
[1-(3-ethoxy-4-propoxybenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473149
[4-(3-aminopropoxy)piperidin-1-yl]-(4-butoxy-3-chloro-5-methoxyphenyl)methanone
CID 119664059

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-5-methoxy-4-propoxybenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone?
The IUPAC name of [1-(3-chloro-5-methoxy-4-propoxybenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone (CID 60552365) is [1-(3-chloro-5-methoxy-4-propoxybenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [1-(3-chloro-5-methoxy-4-propoxybenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [1-(3-chloro-5-methoxy-4-propoxybenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone is CCCOc1c(Cl)cc(C(=O)N2CCC(C(=O)c3ccc(C)cc3)CC2)cc1OC.
What is the InChIKey of [1-(3-chloro-5-methoxy-4-propoxybenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone?
The InChIKey is SCLQTXBKJMVWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClNO4/c1-4-13-30-23-20(25)14-19(15-21(23)29-3)24(28)26-11-9-18(10-12-26)22(27)17-7-5-16(2)6-8-17/h5-8,14-15,18H,4,9-13H2,1-3H3.
What are the key properties of [1-(3-chloro-5-methoxy-4-propoxybenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone?
[1-(3-chloro-5-methoxy-4-propoxybenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone has a molecular weight of 429.94 g/mol, XLogP of 5.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-5-methoxy-4-propoxybenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 60552365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).