ethane;4-[4-(2H-tetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine]

C22H25N5O — CID 143304248

IUPACethane;4-[4-(2H-tetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine]
SMILESC1=C(c2ccc(-c3nn[nH]n3)cc2)c2ccccc2OC12CCNCC2.CC
InChIInChI=1S/C20H19N5O.C2H6/c1-2-4-18-16(3-1)17(13-20(26-18)9-11-21-12-10-20)14-5-7-15(8-6-14)19-22-24-25-23-19;1-2/h1-8,13,21H,9-12H2,(H,22,23,24,25);1-2H3
InChIKeyCKSZNSLECDEDTF-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.84
Rot. Bonds2

About ethane;4-[4-(2H-tetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine]

ethane;4-[4-(2H-tetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine] (PubChem CID 143304248) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is ethane;4-[4-(2H-tetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine].

Molecular Properties

Compound Nameethane;4-[4-(2H-tetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine]
PubChem CID143304248
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Nameethane;4-[4-(2H-tetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine]
SMILESC1=C(c2ccc(-c3nn[nH]n3)cc2)c2ccccc2OC12CCNCC2.CC
InChIInChI=1S/C20H19N5O.C2H6/c1-2-4-18-16(3-1)17(13-20(26-18)9-11-21-12-10-20)14-5-7-15(8-6-14)19-22-24-25-23-19;1-2/h1-8,13,21H,9-12H2,(H,22,23,24,25);1-2H3
InChIKeyCKSZNSLECDEDTF-UHFFFAOYSA-N
XLogP3.84
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-spiro[chromene-2,4'-piperidine]-4-ylphenol
CID 25129433
2-[5-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]ethanamine
CID 11955546
S-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)thiohydroxylamine
CID 143029851
4-[4-[2-(8-iodooctyl)tetrazol-5-yl]phenyl]spiro[chromene-2,4'-piperidine]
CID 143642670
(1E)-1-[2-methylidene-4-[4-(2H-tetrazol-5-yl)phenyl]-1-oxa-9-azaspiro[5.5]undec-4-en-3-ylidene]prop-2-en-1-ol
CID 143304602
methyl 3-[5-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]propanoate
CID 59674678
ethane;N-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)propane-2-sulfinamide
CID 143642659
ethyl 4-[5-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]butanoate
CID 59674640
N,N'-diamino-4-spiro[chromene-2,4'-piperidine]-4-ylbenzenecarboximidamide
CID 143029921
2-methyl-N-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)propanamide
CID 59674350
but-2-yne;ethane;(2S)-2-methylthiirane;S-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)thiohydroxylamine
CID 143642554
(4-methylpiperazin-1-yl)-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)methanimine
CID 143642783

Frequently Asked Questions

What is the IUPAC name of ethane;4-[4-(2H-tetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine]?
The IUPAC name of ethane;4-[4-(2H-tetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine] (CID 143304248) is ethane;4-[4-(2H-tetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine].
What is the SMILES notation for ethane;4-[4-(2H-tetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine]?
The canonical SMILES for ethane;4-[4-(2H-tetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine] is C1=C(c2ccc(-c3nn[nH]n3)cc2)c2ccccc2OC12CCNCC2.CC.
What is the InChIKey of ethane;4-[4-(2H-tetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine]?
The InChIKey is CKSZNSLECDEDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O.C2H6/c1-2-4-18-16(3-1)17(13-20(26-18)9-11-21-12-10-20)14-5-7-15(8-6-14)19-22-24-25-23-19;1-2/h1-8,13,21H,9-12H2,(H,22,23,24,25);1-2H3.
What are the key properties of ethane;4-[4-(2H-tetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine]?
ethane;4-[4-(2H-tetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine] has a molecular weight of 375.48 g/mol, XLogP of 3.84, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[4-(2H-tetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine] is sourced from PubChem (CID 143304248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).