[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[5-(3,4-dimethoxyphenyl)pyrazolidin-3-yl]methanone

C23H28ClN3O4 — CID 78154311

IUPAC[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[5-(3,4-dimethoxyphenyl)pyrazolidin-3-yl]methanone
SMILESCOc1ccc(C2CC(C(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)NN2)cc1OC
InChIInChI=1S/C23H28ClN3O4/c1-30-20-8-3-15(13-21(20)31-2)18-14-19(26-25-18)22(28)27-11-9-23(29,10-12-27)16-4-6-17(24)7-5-16/h3-8,13,18-19,25-26,29H,9-12,14H2,1-2H3
InChIKeyMDFMVJUOIVKLGO-UHFFFAOYSA-N
MW445.95 g/mol
LogP2.78
Rot. Bonds5

About [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[5-(3,4-dimethoxyphenyl)pyrazolidin-3-yl]methanone

[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[5-(3,4-dimethoxyphenyl)pyrazolidin-3-yl]methanone (PubChem CID 78154311) has the molecular formula C23H28ClN3O4 and a molecular weight of 445.95 g/mol. Its IUPAC name is [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[5-(3,4-dimethoxyphenyl)pyrazolidin-3-yl]methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[5-(3,4-dimethoxyphenyl)pyrazolidin-3-yl]methanone
PubChem CID78154311
Molecular FormulaC23H28ClN3O4
Molecular Weight445.95 g/mol
Exact Mass445.18
IUPAC Name[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[5-(3,4-dimethoxyphenyl)pyrazolidin-3-yl]methanone
SMILESCOc1ccc(C2CC(C(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)NN2)cc1OC
InChIInChI=1S/C23H28ClN3O4/c1-30-20-8-3-15(13-21(20)31-2)18-14-19(26-25-18)22(28)27-11-9-23(29,10-12-27)16-4-6-17(24)7-5-16/h3-8,13,18-19,25-26,29H,9-12,14H2,1-2H3
InChIKeyMDFMVJUOIVKLGO-UHFFFAOYSA-N
XLogP2.78
TPSA83.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.95
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(5-pyridin-3-ylpyrazolidin-3-yl)methanone
CID 133108799
1-[5-(4-chlorophenyl)pyrazolidine-3-carbonyl]piperidine-4-carboxamide
CID 74601974
4-[5-(4-chlorophenyl)pyrazolidine-3-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 74629892
N-(3-chloro-4-methoxyphenyl)-5-(4-chlorophenyl)pyrazolidine-3-carboxamide
CID 75085710
N-[1-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]-2-methoxybenzamide
CID 75270681
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]methanone
CID 75283616
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(4-methylphenyl)pyrazolidin-3-yl]methanone
CID 74487434
1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrazol-3-yl-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methanone
CID 134126425
[5-(3-methoxyphenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
CID 75234418
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1-(2-methoxyethyl)pyrrolidin-3-yl]methanone
CID 74236646
[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 75283611
[(3R,5S)-5-(3,4-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 46950437

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[5-(3,4-dimethoxyphenyl)pyrazolidin-3-yl]methanone?
The IUPAC name of [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[5-(3,4-dimethoxyphenyl)pyrazolidin-3-yl]methanone (CID 78154311) is [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[5-(3,4-dimethoxyphenyl)pyrazolidin-3-yl]methanone.
What is the SMILES notation for [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[5-(3,4-dimethoxyphenyl)pyrazolidin-3-yl]methanone?
The canonical SMILES for [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[5-(3,4-dimethoxyphenyl)pyrazolidin-3-yl]methanone is COc1ccc(C2CC(C(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)NN2)cc1OC.
What is the InChIKey of [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[5-(3,4-dimethoxyphenyl)pyrazolidin-3-yl]methanone?
The InChIKey is MDFMVJUOIVKLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O4/c1-30-20-8-3-15(13-21(20)31-2)18-14-19(26-25-18)22(28)27-11-9-23(29,10-12-27)16-4-6-17(24)7-5-16/h3-8,13,18-19,25-26,29H,9-12,14H2,1-2H3.
What are the key properties of [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[5-(3,4-dimethoxyphenyl)pyrazolidin-3-yl]methanone?
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[5-(3,4-dimethoxyphenyl)pyrazolidin-3-yl]methanone has a molecular weight of 445.95 g/mol, XLogP of 2.78, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[5-(3,4-dimethoxyphenyl)pyrazolidin-3-yl]methanone is sourced from PubChem (CID 78154311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).