[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone

C19H23N7O — CID 99930369

IUPAC[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone
SMILESCCn1ccnc1[C@H]1CCCN(C(=O)c2cccc(-n3nnnc3C)c2)C1
InChIInChI=1S/C19H23N7O/c1-3-24-11-9-20-18(24)16-7-5-10-25(13-16)19(27)15-6-4-8-17(12-15)26-14(2)21-22-23-26/h4,6,8-9,11-12,16H,3,5,7,10,13H2,1-2H3/t16-/m0/s1
InChIKeyPGYRXNYWROYQRL-INIZCTEOSA-N
MW365.44 g/mol
LogP2.21
Rot. Bonds4

About [(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone

[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone (PubChem CID 99930369) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is [(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone
PubChem CID99930369
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone
SMILESCCn1ccnc1[C@H]1CCCN(C(=O)c2cccc(-n3nnnc3C)c2)C1
InChIInChI=1S/C19H23N7O/c1-3-24-11-9-20-18(24)16-7-5-10-25(13-16)19(27)15-6-4-8-17(12-15)26-14(2)21-22-23-26/h4,6,8-9,11-12,16H,3,5,7,10,13H2,1-2H3/t16-/m0/s1
InChIKeyPGYRXNYWROYQRL-INIZCTEOSA-N
XLogP2.21
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone with MolForge

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Related Compounds

[3-(5-methyltetrazol-1-yl)phenyl]-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
CID 97281209
[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-morpholin-4-ylphenyl)methanone
CID 70773218
[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[2-hydroxy-4-(tetrazol-1-yl)phenyl]methanone
CID 70738101
1-[3-[4-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]phenyl]ethanone
CID 72932090
(4-methyl-1,4-diazepan-1-yl)-[3-(5-methyltetrazol-1-yl)phenyl]methanone
CID 71709137
[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 97133000
[3-(5-methyltetrazol-1-yl)phenyl]-morpholin-4-ylmethanone
CID 56763218
(3-chloro-5-fluorophenyl)-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone
CID 97133821
[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone
CID 72860979
[3-(1-butylimidazol-2-yl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone
CID 72867437
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

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone?
The IUPAC name of [(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone (CID 99930369) is [(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone.
What is the SMILES notation for [(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone?
The canonical SMILES for [(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone is CCn1ccnc1[C@H]1CCCN(C(=O)c2cccc(-n3nnnc3C)c2)C1.
What is the InChIKey of [(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone?
The InChIKey is PGYRXNYWROYQRL-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23N7O/c1-3-24-11-9-20-18(24)16-7-5-10-25(13-16)19(27)15-6-4-8-17(12-15)26-14(2)21-22-23-26/h4,6,8-9,11-12,16H,3,5,7,10,13H2,1-2H3/t16-/m0/s1.
What are the key properties of [(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone?
[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone has a molecular weight of 365.44 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 99930369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).