[(2S)-oxolan-2-yl]-[4-[5-(5-phenyltetrazol-2-yl)pentyl]piperazin-1-yl]methanone

C21H30N6O2 — CID 52525383

IUPAC[(2S)-oxolan-2-yl]-[4-[5-(5-phenyltetrazol-2-yl)pentyl]piperazin-1-yl]methanone
SMILESO=C([C@@H]1CCCO1)N1CCN(CCCCCn2nnc(-c3ccccc3)n2)CC1
InChIInChI=1S/C21H30N6O2/c28-21(19-10-7-17-29-19)26-15-13-25(14-16-26)11-5-2-6-12-27-23-20(22-24-27)18-8-3-1-4-9-18/h1,3-4,8-9,19H,2,5-7,10-17H2/t19-/m0/s1
InChIKeyIDHWODGERRIQLN-IBGZPJMESA-N
MW398.51 g/mol
LogP1.83
Rot. Bonds8

About [(2S)-oxolan-2-yl]-[4-[5-(5-phenyltetrazol-2-yl)pentyl]piperazin-1-yl]methanone

[(2S)-oxolan-2-yl]-[4-[5-(5-phenyltetrazol-2-yl)pentyl]piperazin-1-yl]methanone (PubChem CID 52525383) has the molecular formula C21H30N6O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is [(2S)-oxolan-2-yl]-[4-[5-(5-phenyltetrazol-2-yl)pentyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(2S)-oxolan-2-yl]-[4-[5-(5-phenyltetrazol-2-yl)pentyl]piperazin-1-yl]methanone
PubChem CID52525383
Molecular FormulaC21H30N6O2
Molecular Weight398.51 g/mol
Exact Mass398.24
IUPAC Name[(2S)-oxolan-2-yl]-[4-[5-(5-phenyltetrazol-2-yl)pentyl]piperazin-1-yl]methanone
SMILESO=C([C@@H]1CCCO1)N1CCN(CCCCCn2nnc(-c3ccccc3)n2)CC1
InChIInChI=1S/C21H30N6O2/c28-21(19-10-7-17-29-19)26-15-13-25(14-16-26)11-5-2-6-12-27-23-20(22-24-27)18-8-3-1-4-9-18/h1,3-4,8-9,19H,2,5-7,10-17H2/t19-/m0/s1
InChIKeyIDHWODGERRIQLN-IBGZPJMESA-N
XLogP1.83
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(2R)-oxolan-2-yl]-[4-[(5-thiophen-2-yltetrazol-2-yl)methyl]piperazin-1-yl]methanone
CID 9111092
[(2R)-oxolan-2-yl]-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone
CID 29235172
2-(4-fluorophenyl)-1-[4-[5-(5-phenyltetrazol-2-yl)pentyl]piperazin-1-yl]ethanone
CID 56550613
oxolan-2-yl-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone
CID 4782471
[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 51924438
2-[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-4-yl]-1,3-benzoxazole
CID 56550712
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 86944767
phenyl 2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanesulfonate
CID 18292590
oxolan-2-yl-[4-[(2-phenylphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 134704589
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 113073657
[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 2077821
[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 110602338

Frequently Asked Questions

What is the IUPAC name of [(2S)-oxolan-2-yl]-[4-[5-(5-phenyltetrazol-2-yl)pentyl]piperazin-1-yl]methanone?
The IUPAC name of [(2S)-oxolan-2-yl]-[4-[5-(5-phenyltetrazol-2-yl)pentyl]piperazin-1-yl]methanone (CID 52525383) is [(2S)-oxolan-2-yl]-[4-[5-(5-phenyltetrazol-2-yl)pentyl]piperazin-1-yl]methanone.
What is the SMILES notation for [(2S)-oxolan-2-yl]-[4-[5-(5-phenyltetrazol-2-yl)pentyl]piperazin-1-yl]methanone?
The canonical SMILES for [(2S)-oxolan-2-yl]-[4-[5-(5-phenyltetrazol-2-yl)pentyl]piperazin-1-yl]methanone is O=C([C@@H]1CCCO1)N1CCN(CCCCCn2nnc(-c3ccccc3)n2)CC1.
What is the InChIKey of [(2S)-oxolan-2-yl]-[4-[5-(5-phenyltetrazol-2-yl)pentyl]piperazin-1-yl]methanone?
The InChIKey is IDHWODGERRIQLN-IBGZPJMESA-N. The full InChI is InChI=1S/C21H30N6O2/c28-21(19-10-7-17-29-19)26-15-13-25(14-16-26)11-5-2-6-12-27-23-20(22-24-27)18-8-3-1-4-9-18/h1,3-4,8-9,19H,2,5-7,10-17H2/t19-/m0/s1.
What are the key properties of [(2S)-oxolan-2-yl]-[4-[5-(5-phenyltetrazol-2-yl)pentyl]piperazin-1-yl]methanone?
[(2S)-oxolan-2-yl]-[4-[5-(5-phenyltetrazol-2-yl)pentyl]piperazin-1-yl]methanone has a molecular weight of 398.51 g/mol, XLogP of 1.83, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-oxolan-2-yl]-[4-[5-(5-phenyltetrazol-2-yl)pentyl]piperazin-1-yl]methanone is sourced from PubChem (CID 52525383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).