[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[2-hydroxy-4-(tetrazol-1-yl)phenyl]methanone

C18H21N7O2 — CID 70738101

IUPAC[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[2-hydroxy-4-(tetrazol-1-yl)phenyl]methanone
SMILESCCn1ccnc1C1CCCN(C(=O)c2ccc(-n3cnnn3)cc2O)C1
InChIInChI=1S/C18H21N7O2/c1-2-23-9-7-19-17(23)13-4-3-8-24(11-13)18(27)15-6-5-14(10-16(15)26)25-12-20-21-22-25/h5-7,9-10,12-13,26H,2-4,8,11H2,1H3
InChIKeyYAHPHZOTQBEQDY-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.60
Rot. Bonds4

About [3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[2-hydroxy-4-(tetrazol-1-yl)phenyl]methanone

[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[2-hydroxy-4-(tetrazol-1-yl)phenyl]methanone (PubChem CID 70738101) has the molecular formula C18H21N7O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is [3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[2-hydroxy-4-(tetrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[2-hydroxy-4-(tetrazol-1-yl)phenyl]methanone
PubChem CID70738101
Molecular FormulaC18H21N7O2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC Name[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[2-hydroxy-4-(tetrazol-1-yl)phenyl]methanone
SMILESCCn1ccnc1C1CCCN(C(=O)c2ccc(-n3cnnn3)cc2O)C1
InChIInChI=1S/C18H21N7O2/c1-2-23-9-7-19-17(23)13-4-3-8-24(11-13)18(27)15-6-5-14(10-16(15)26)25-12-20-21-22-25/h5-7,9-10,12-13,26H,2-4,8,11H2,1H3
InChIKeyYAHPHZOTQBEQDY-UHFFFAOYSA-N
XLogP1.60
TPSA101.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 97133000
[(3S)-3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-[2-hydroxy-4-(tetrazol-1-yl)phenyl]methanone
CID 95729380
3-[(3S)-3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 97276988
[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone
CID 99930369
[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-morpholin-4-ylphenyl)methanone
CID 70773218
(3-chloro-5-fluorophenyl)-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone
CID 97133821
3-chloro-5-[(3S)-3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 97154594
[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 97271958
1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 70725342
2-[2-[1-(4-chloro-2-methylbenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 72878743
[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone
CID 72860979
[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[5-(3-methylphenyl)-1H-pyrazol-4-yl]methanone
CID 97141939

Frequently Asked Questions

What is the IUPAC name of [3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[2-hydroxy-4-(tetrazol-1-yl)phenyl]methanone?
The IUPAC name of [3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[2-hydroxy-4-(tetrazol-1-yl)phenyl]methanone (CID 70738101) is [3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[2-hydroxy-4-(tetrazol-1-yl)phenyl]methanone.
What is the SMILES notation for [3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[2-hydroxy-4-(tetrazol-1-yl)phenyl]methanone?
The canonical SMILES for [3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[2-hydroxy-4-(tetrazol-1-yl)phenyl]methanone is CCn1ccnc1C1CCCN(C(=O)c2ccc(-n3cnnn3)cc2O)C1.
What is the InChIKey of [3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[2-hydroxy-4-(tetrazol-1-yl)phenyl]methanone?
The InChIKey is YAHPHZOTQBEQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O2/c1-2-23-9-7-19-17(23)13-4-3-8-24(11-13)18(27)15-6-5-14(10-16(15)26)25-12-20-21-22-25/h5-7,9-10,12-13,26H,2-4,8,11H2,1H3.
What are the key properties of [3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[2-hydroxy-4-(tetrazol-1-yl)phenyl]methanone?
[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[2-hydroxy-4-(tetrazol-1-yl)phenyl]methanone has a molecular weight of 367.41 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[2-hydroxy-4-(tetrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 70738101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).