[4-[5-chloro-2-methoxy-4-(tetrazol-1-yl)benzoyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone

C22H23ClN6O5 — CID 55774799

IUPAC[4-[5-chloro-2-methoxy-4-(tetrazol-1-yl)benzoyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCN(C(=O)c3cc(Cl)c(-n4cnnn4)cc3OC)CC2)c1
InChIInChI=1S/C22H23ClN6O5/c1-32-15-8-14(9-16(10-15)33-2)21(30)27-4-6-28(7-5-27)22(31)17-11-18(23)19(12-20(17)34-3)29-13-24-25-26-29/h8-13H,4-7H2,1-3H3
InChIKeyMJVCCAWUWCTXGK-UHFFFAOYSA-N
MW486.92 g/mol
LogP1.94
Rot. Bonds6

About [4-[5-chloro-2-methoxy-4-(tetrazol-1-yl)benzoyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone

[4-[5-chloro-2-methoxy-4-(tetrazol-1-yl)benzoyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone (PubChem CID 55774799) has the molecular formula C22H23ClN6O5 and a molecular weight of 486.92 g/mol. Its IUPAC name is [4-[5-chloro-2-methoxy-4-(tetrazol-1-yl)benzoyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[5-chloro-2-methoxy-4-(tetrazol-1-yl)benzoyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
PubChem CID55774799
Molecular FormulaC22H23ClN6O5
Molecular Weight486.92 g/mol
Exact Mass486.14
IUPAC Name[4-[5-chloro-2-methoxy-4-(tetrazol-1-yl)benzoyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCN(C(=O)c3cc(Cl)c(-n4cnnn4)cc3OC)CC2)c1
InChIInChI=1S/C22H23ClN6O5/c1-32-15-8-14(9-16(10-15)33-2)21(30)27-4-6-28(7-5-27)22(31)17-11-18(23)19(12-20(17)34-3)29-13-24-25-26-29/h8-13H,4-7H2,1-3H3
InChIKeyMJVCCAWUWCTXGK-UHFFFAOYSA-N
XLogP1.94
TPSA111.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.92
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

[4-[5-chloro-2-methoxy-4-(tetrazol-1-yl)benzoyl]piperazin-1-yl]-cyclobutylmethanone
CID 56512126
4-[5-chloro-2-methoxy-4-(tetrazol-1-yl)benzoyl]-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide
CID 55970735
[5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-(2-methylmorpholin-4-yl)methanone
CID 131960710
[5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 55791493
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]methanone
CID 120809267
[5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119396075
[5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120996324
[5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 87000792
5-chloro-N-(4-chlorophenyl)-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 87000459
1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
CID 55631974
5-chloro-2-methoxy-N-(1-piperidin-1-ylpropan-2-yl)-4-(tetrazol-1-yl)benzamide
CID 60508392
[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 1148027

Frequently Asked Questions

What is the IUPAC name of [4-[5-chloro-2-methoxy-4-(tetrazol-1-yl)benzoyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone?
The IUPAC name of [4-[5-chloro-2-methoxy-4-(tetrazol-1-yl)benzoyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone (CID 55774799) is [4-[5-chloro-2-methoxy-4-(tetrazol-1-yl)benzoyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone.
What is the SMILES notation for [4-[5-chloro-2-methoxy-4-(tetrazol-1-yl)benzoyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone?
The canonical SMILES for [4-[5-chloro-2-methoxy-4-(tetrazol-1-yl)benzoyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone is COc1cc(OC)cc(C(=O)N2CCN(C(=O)c3cc(Cl)c(-n4cnnn4)cc3OC)CC2)c1.
What is the InChIKey of [4-[5-chloro-2-methoxy-4-(tetrazol-1-yl)benzoyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone?
The InChIKey is MJVCCAWUWCTXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN6O5/c1-32-15-8-14(9-16(10-15)33-2)21(30)27-4-6-28(7-5-27)22(31)17-11-18(23)19(12-20(17)34-3)29-13-24-25-26-29/h8-13H,4-7H2,1-3H3.
What are the key properties of [4-[5-chloro-2-methoxy-4-(tetrazol-1-yl)benzoyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone?
[4-[5-chloro-2-methoxy-4-(tetrazol-1-yl)benzoyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone has a molecular weight of 486.92 g/mol, XLogP of 1.94, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-chloro-2-methoxy-4-(tetrazol-1-yl)benzoyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone is sourced from PubChem (CID 55774799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).