(2R)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenyl-2-(tetrazol-1-yl)ethanone

C18H18N6O3 — CID 97265525

IUPAC(2R)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenyl-2-(tetrazol-1-yl)ethanone
SMILESO=C(c1ccco1)N1CCN(C(=O)[C@@H](c2ccccc2)n2cnnn2)CC1
InChIInChI=1S/C18H18N6O3/c25-17(15-7-4-12-27-15)22-8-10-23(11-9-22)18(26)16(24-13-19-20-21-24)14-5-2-1-3-6-14/h1-7,12-13,16H,8-11H2/t16-/m1/s1
InChIKeyJQXHMPKKNOAKON-MRXNPFEDSA-N
MW366.38 g/mol
LogP0.84
Rot. Bonds4

About (2R)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenyl-2-(tetrazol-1-yl)ethanone

(2R)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenyl-2-(tetrazol-1-yl)ethanone (PubChem CID 97265525) has the molecular formula C18H18N6O3 and a molecular weight of 366.38 g/mol. Its IUPAC name is (2R)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenyl-2-(tetrazol-1-yl)ethanone.

Molecular Properties

Compound Name(2R)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenyl-2-(tetrazol-1-yl)ethanone
PubChem CID97265525
Molecular FormulaC18H18N6O3
Molecular Weight366.38 g/mol
Exact Mass366.14
IUPAC Name(2R)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenyl-2-(tetrazol-1-yl)ethanone
SMILESO=C(c1ccco1)N1CCN(C(=O)[C@@H](c2ccccc2)n2cnnn2)CC1
InChIInChI=1S/C18H18N6O3/c25-17(15-7-4-12-27-15)22-8-10-23(11-9-22)18(26)16(24-13-19-20-21-24)14-5-2-1-3-6-14/h1-7,12-13,16H,8-11H2/t16-/m1/s1
InChIKeyJQXHMPKKNOAKON-MRXNPFEDSA-N
XLogP0.84
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-phenyl-1-[(2S)-2-phenylmorpholin-4-yl]-2-(tetrazol-1-yl)ethanone
CID 96558413
(2R)-1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-2-phenyl-2-(tetrazol-1-yl)ethanone
CID 132992813
3-amino-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methyl-3-phenylpropan-1-one;hydrochloride
CID 119673047
1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-phenyl-2-(tetrazol-1-yl)ethanone
CID 91785653
N-benzhydryl-4-(furan-2-carbonyl)piperazine-1-carbothioamide
CID 3573724
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110796817
1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-3-phenylpentan-1-one
CID 110316558
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one;hydrochloride
CID 119673057
azepan-1-yl(furan-2-yl)methanone
CID 5200992
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(1-phenylethyl)propanamide
CID 46162177
(2S)-1-(4-benzylpiperazin-1-yl)-3-phenyl-2-(tetrazol-1-yl)propan-1-one
CID 32831551
[4-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]-(furan-2-yl)methanone chloride
CID 53313729

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenyl-2-(tetrazol-1-yl)ethanone?
The IUPAC name of (2R)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenyl-2-(tetrazol-1-yl)ethanone (CID 97265525) is (2R)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenyl-2-(tetrazol-1-yl)ethanone.
What is the SMILES notation for (2R)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenyl-2-(tetrazol-1-yl)ethanone?
The canonical SMILES for (2R)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenyl-2-(tetrazol-1-yl)ethanone is O=C(c1ccco1)N1CCN(C(=O)[C@@H](c2ccccc2)n2cnnn2)CC1.
What is the InChIKey of (2R)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenyl-2-(tetrazol-1-yl)ethanone?
The InChIKey is JQXHMPKKNOAKON-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H18N6O3/c25-17(15-7-4-12-27-15)22-8-10-23(11-9-22)18(26)16(24-13-19-20-21-24)14-5-2-1-3-6-14/h1-7,12-13,16H,8-11H2/t16-/m1/s1.
What are the key properties of (2R)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenyl-2-(tetrazol-1-yl)ethanone?
(2R)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenyl-2-(tetrazol-1-yl)ethanone has a molecular weight of 366.38 g/mol, XLogP of 0.84, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenyl-2-(tetrazol-1-yl)ethanone is sourced from PubChem (CID 97265525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).