3-[1-[4-methoxy-3-(tetrazol-1-yl)benzoyl]piperidin-3-yl]propanoic acid

C17H21N5O4 — CID 120536453

IUPAC3-[1-[4-methoxy-3-(tetrazol-1-yl)benzoyl]piperidin-3-yl]propanoic acid
SMILESCOc1ccc(C(=O)N2CCCC(CCC(=O)O)C2)cc1-n1cnnn1
InChIInChI=1S/C17H21N5O4/c1-26-15-6-5-13(9-14(15)22-11-18-19-20-22)17(25)21-8-2-3-12(10-21)4-7-16(23)24/h5-6,9,11-12H,2-4,7-8,10H2,1H3,(H,23,24)
InChIKeyQWHAWJYFBHDVEQ-UHFFFAOYSA-N
MW359.39 g/mol
LogP1.39
Rot. Bonds6

About 3-[1-[4-methoxy-3-(tetrazol-1-yl)benzoyl]piperidin-3-yl]propanoic acid

3-[1-[4-methoxy-3-(tetrazol-1-yl)benzoyl]piperidin-3-yl]propanoic acid (PubChem CID 120536453) has the molecular formula C17H21N5O4 and a molecular weight of 359.39 g/mol. Its IUPAC name is 3-[1-[4-methoxy-3-(tetrazol-1-yl)benzoyl]piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[4-methoxy-3-(tetrazol-1-yl)benzoyl]piperidin-3-yl]propanoic acid
PubChem CID120536453
Molecular FormulaC17H21N5O4
Molecular Weight359.39 g/mol
Exact Mass359.16
IUPAC Name3-[1-[4-methoxy-3-(tetrazol-1-yl)benzoyl]piperidin-3-yl]propanoic acid
SMILESCOc1ccc(C(=O)N2CCCC(CCC(=O)O)C2)cc1-n1cnnn1
InChIInChI=1S/C17H21N5O4/c1-26-15-6-5-13(9-14(15)22-11-18-19-20-22)17(25)21-8-2-3-12(10-21)4-7-16(23)24/h5-6,9,11-12H,2-4,7-8,10H2,1H3,(H,23,24)
InChIKeyQWHAWJYFBHDVEQ-UHFFFAOYSA-N
XLogP1.39
TPSA110.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3-ethylpiperidin-1-yl)-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone
CID 75501375
7-azaspiro[4.5]decan-7-yl-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone
CID 139007189
3-[(3S)-1-(4-acetylbenzoyl)piperidin-3-yl]propanoic acid
CID 124681890
[4-methoxy-3-(tetrazol-1-yl)phenyl]-(9-methyl-6-azaspiro[3.5]nonan-6-yl)methanone
CID 139001408
[4-methoxy-3-(tetrazol-1-yl)phenyl]-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone
CID 139001308
(6R)-4-[4-methoxy-3-(tetrazol-1-yl)benzoyl]-6-methylmorpholine-2-carboxylic acid
CID 120536006
3-[(3S)-1-(4-bromo-2-methoxybenzoyl)piperidin-3-yl]propanoic acid
CID 124684718
3-[(3S)-1-(1-methylbenzotriazole-5-carbonyl)piperidin-3-yl]propanoic acid
CID 124698579
3-[(3R)-1-(4-fluoro-3-methylbenzoyl)piperidin-3-yl]propanoic acid
CID 95031817
3-[1-[3-chloro-4-(difluoromethoxy)benzoyl]piperidin-3-yl]propanoic acid
CID 138056724
3-[1-(6-bromonaphthalene-2-carbonyl)piperidin-3-yl]propanoic acid
CID 120689631
[5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119396075

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-methoxy-3-(tetrazol-1-yl)benzoyl]piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-[4-methoxy-3-(tetrazol-1-yl)benzoyl]piperidin-3-yl]propanoic acid (CID 120536453) is 3-[1-[4-methoxy-3-(tetrazol-1-yl)benzoyl]piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-[4-methoxy-3-(tetrazol-1-yl)benzoyl]piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-[4-methoxy-3-(tetrazol-1-yl)benzoyl]piperidin-3-yl]propanoic acid is COc1ccc(C(=O)N2CCCC(CCC(=O)O)C2)cc1-n1cnnn1.
What is the InChIKey of 3-[1-[4-methoxy-3-(tetrazol-1-yl)benzoyl]piperidin-3-yl]propanoic acid?
The InChIKey is QWHAWJYFBHDVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O4/c1-26-15-6-5-13(9-14(15)22-11-18-19-20-22)17(25)21-8-2-3-12(10-21)4-7-16(23)24/h5-6,9,11-12H,2-4,7-8,10H2,1H3,(H,23,24).
What are the key properties of 3-[1-[4-methoxy-3-(tetrazol-1-yl)benzoyl]piperidin-3-yl]propanoic acid?
3-[1-[4-methoxy-3-(tetrazol-1-yl)benzoyl]piperidin-3-yl]propanoic acid has a molecular weight of 359.39 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-methoxy-3-(tetrazol-1-yl)benzoyl]piperidin-3-yl]propanoic acid is sourced from PubChem (CID 120536453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).