methyl 2-[1-[4-chloro-2-(tetrazol-1-yl)benzoyl]piperidin-4-yl]acetate

C16H18ClN5O3 — CID 52902961

IUPACmethyl 2-[1-[4-chloro-2-(tetrazol-1-yl)benzoyl]piperidin-4-yl]acetate
SMILESCOC(=O)CC1CCN(C(=O)c2ccc(Cl)cc2-n2cnnn2)CC1
InChIInChI=1S/C16H18ClN5O3/c1-25-15(23)8-11-4-6-21(7-5-11)16(24)13-3-2-12(17)9-14(13)22-10-18-19-20-22/h2-3,9-11H,4-8H2,1H3
InChIKeyJHXMEXGQUZNVRM-UHFFFAOYSA-N
MW363.81 g/mol
LogP1.73
Rot. Bonds4

About methyl 2-[1-[4-chloro-2-(tetrazol-1-yl)benzoyl]piperidin-4-yl]acetate

methyl 2-[1-[4-chloro-2-(tetrazol-1-yl)benzoyl]piperidin-4-yl]acetate (PubChem CID 52902961) has the molecular formula C16H18ClN5O3 and a molecular weight of 363.81 g/mol. Its IUPAC name is methyl 2-[1-[4-chloro-2-(tetrazol-1-yl)benzoyl]piperidin-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[4-chloro-2-(tetrazol-1-yl)benzoyl]piperidin-4-yl]acetate
PubChem CID52902961
Molecular FormulaC16H18ClN5O3
Molecular Weight363.81 g/mol
Exact Mass363.11
IUPAC Namemethyl 2-[1-[4-chloro-2-(tetrazol-1-yl)benzoyl]piperidin-4-yl]acetate
SMILESCOC(=O)CC1CCN(C(=O)c2ccc(Cl)cc2-n2cnnn2)CC1
InChIInChI=1S/C16H18ClN5O3/c1-25-15(23)8-11-4-6-21(7-5-11)16(24)13-3-2-12(17)9-14(13)22-10-18-19-20-22/h2-3,9-11H,4-8H2,1H3
InChIKeyJHXMEXGQUZNVRM-UHFFFAOYSA-N
XLogP1.73
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.81
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[[4-chloro-2-(tetrazol-1-yl)benzoyl]amino]acetate
CID 42570048
[4-chloro-2-(tetrazol-1-yl)phenyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 28935033
1-[5-chloro-2-(tetrazol-1-yl)benzoyl]piperidine-4-carboxamide
CID 39896622
[4-chloro-2-(tetrazol-1-yl)phenyl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 71705867
methyl 2-[1-(2-chlorobenzoyl)piperidin-4-yl]acetate
CID 142714825
methyl 2-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]acetate
CID 169284591
(2,4-dichlorophenyl)-[4-[5-fluoro-2-(tetrazol-1-yl)benzoyl]piperazin-1-yl]methanone
CID 42534190
(2,5-dichlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551581
N-(2-aminoethyl)-1-[5-chloro-2-(tetrazol-1-yl)benzoyl]piperidine-3-carboxamide
CID 119479426
2-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetic acid
CID 78980399
(4-amino-3,3-dimethylpiperidin-1-yl)-[2-(tetrazol-1-yl)phenyl]methanone
CID 120814501
[4-(bromomethyl)piperidin-1-yl]-(5-chloro-2-methoxyphenyl)methanone
CID 80677434

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[4-chloro-2-(tetrazol-1-yl)benzoyl]piperidin-4-yl]acetate?
The IUPAC name of methyl 2-[1-[4-chloro-2-(tetrazol-1-yl)benzoyl]piperidin-4-yl]acetate (CID 52902961) is methyl 2-[1-[4-chloro-2-(tetrazol-1-yl)benzoyl]piperidin-4-yl]acetate.
What is the SMILES notation for methyl 2-[1-[4-chloro-2-(tetrazol-1-yl)benzoyl]piperidin-4-yl]acetate?
The canonical SMILES for methyl 2-[1-[4-chloro-2-(tetrazol-1-yl)benzoyl]piperidin-4-yl]acetate is COC(=O)CC1CCN(C(=O)c2ccc(Cl)cc2-n2cnnn2)CC1.
What is the InChIKey of methyl 2-[1-[4-chloro-2-(tetrazol-1-yl)benzoyl]piperidin-4-yl]acetate?
The InChIKey is JHXMEXGQUZNVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5O3/c1-25-15(23)8-11-4-6-21(7-5-11)16(24)13-3-2-12(17)9-14(13)22-10-18-19-20-22/h2-3,9-11H,4-8H2,1H3.
What are the key properties of methyl 2-[1-[4-chloro-2-(tetrazol-1-yl)benzoyl]piperidin-4-yl]acetate?
methyl 2-[1-[4-chloro-2-(tetrazol-1-yl)benzoyl]piperidin-4-yl]acetate has a molecular weight of 363.81 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[4-chloro-2-(tetrazol-1-yl)benzoyl]piperidin-4-yl]acetate is sourced from PubChem (CID 52902961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).