[2-(2-chlorophenyl)cyclopropyl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone

C21H21ClN6O — CID 55636451

IUPAC[2-(2-chlorophenyl)cyclopropyl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
SMILESO=C(C1CC1c1ccccc1Cl)N1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C21H21ClN6O/c22-19-9-5-4-8-16(19)17-14-18(17)20(29)26-10-12-27(13-11-26)21-23-24-25-28(21)15-6-2-1-3-7-15/h1-9,17-18H,10-14H2
InChIKeySAXDVPBUWAYVOO-UHFFFAOYSA-N
MW408.89 g/mol
LogP2.77
Rot. Bonds4

About [2-(2-chlorophenyl)cyclopropyl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone

[2-(2-chlorophenyl)cyclopropyl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone (PubChem CID 55636451) has the molecular formula C21H21ClN6O and a molecular weight of 408.89 g/mol. Its IUPAC name is [2-(2-chlorophenyl)cyclopropyl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(2-chlorophenyl)cyclopropyl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
PubChem CID55636451
Molecular FormulaC21H21ClN6O
Molecular Weight408.89 g/mol
Exact Mass408.15
IUPAC Name[2-(2-chlorophenyl)cyclopropyl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
SMILESO=C(C1CC1c1ccccc1Cl)N1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C21H21ClN6O/c22-19-9-5-4-8-16(19)17-14-18(17)20(29)26-10-12-27(13-11-26)21-23-24-25-28(21)15-6-2-1-3-7-15/h1-9,17-18H,10-14H2
InChIKeySAXDVPBUWAYVOO-UHFFFAOYSA-N
XLogP2.77
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(2-chlorophenyl)cyclopropyl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[2-(2-chlorophenyl)cyclopropyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 51292072
2-bicyclo[2.2.1]heptanyl-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 55636310
[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-(9H-xanthen-9-yl)methanone
CID 46600637
[2-(2-chlorophenyl)cyclopropyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 51291684
[2-(2-chlorophenyl)cyclopropyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 51292018
[2-(2-chlorophenyl)cyclopropyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 51292364
[1-(benzenesulfonyl)piperidin-4-yl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 46600592
[2-(2-chlorophenyl)cyclopropyl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 112806323
[(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone
CID 124695333
[2-(2-chlorophenyl)cyclopropyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 51291775
[2-(2-chlorophenyl)cyclopropyl]-(4-cyclopropylpiperazin-1-yl)methanone
CID 71936528
(2-bromophenyl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 2243329

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)cyclopropyl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone?
The IUPAC name of [2-(2-chlorophenyl)cyclopropyl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone (CID 55636451) is [2-(2-chlorophenyl)cyclopropyl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(2-chlorophenyl)cyclopropyl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(2-chlorophenyl)cyclopropyl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone is O=C(C1CC1c1ccccc1Cl)N1CCN(c2nnnn2-c2ccccc2)CC1.
What is the InChIKey of [2-(2-chlorophenyl)cyclopropyl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone?
The InChIKey is SAXDVPBUWAYVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN6O/c22-19-9-5-4-8-16(19)17-14-18(17)20(29)26-10-12-27(13-11-26)21-23-24-25-28(21)15-6-2-1-3-7-15/h1-9,17-18H,10-14H2.
What are the key properties of [2-(2-chlorophenyl)cyclopropyl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone?
[2-(2-chlorophenyl)cyclopropyl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone has a molecular weight of 408.89 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)cyclopropyl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 55636451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).