[4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]-4-phenylpiperidin-1-yl]-(4-methylphenyl)methanone

C27H26ClN5O — CID 22240851

IUPAC[4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]-4-phenylpiperidin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC(c3ccccc3)(c3nnn(Cc4ccc(Cl)cc4)n3)CC2)cc1
InChIInChI=1S/C27H26ClN5O/c1-20-7-11-22(12-8-20)25(34)32-17-15-27(16-18-32,23-5-3-2-4-6-23)26-29-31-33(30-26)19-21-9-13-24(28)14-10-21/h2-14H,15-19H2,1H3
InChIKeyPJIGDOMQMCWLQA-UHFFFAOYSA-N
MW471.99 g/mol
LogP4.91
Rot. Bonds5

About [4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]-4-phenylpiperidin-1-yl]-(4-methylphenyl)methanone

[4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]-4-phenylpiperidin-1-yl]-(4-methylphenyl)methanone (PubChem CID 22240851) has the molecular formula C27H26ClN5O and a molecular weight of 471.99 g/mol. Its IUPAC name is [4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]-4-phenylpiperidin-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]-4-phenylpiperidin-1-yl]-(4-methylphenyl)methanone
PubChem CID22240851
Molecular FormulaC27H26ClN5O
Molecular Weight471.99 g/mol
Exact Mass471.18
IUPAC Name[4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]-4-phenylpiperidin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC(c3ccccc3)(c3nnn(Cc4ccc(Cl)cc4)n3)CC2)cc1
InChIInChI=1S/C27H26ClN5O/c1-20-7-11-22(12-8-20)25(34)32-17-15-27(16-18-32,23-5-3-2-4-6-23)26-29-31-33(30-26)19-21-9-13-24(28)14-10-21/h2-14H,15-19H2,1H3
InChIKeyPJIGDOMQMCWLQA-UHFFFAOYSA-N
XLogP4.91
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.99
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]-4-phenylpiperidin-1-yl]-(4-methylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzamide;4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]-4-phenylpiperidine-1-carbothioic S-acid
CID 87392865
4-(2-benzyltetrazol-5-yl)-4-phenylpiperidine-1-carboxylic acid
CID 22240699
4-[2-[(4-tert-butylphenyl)methyl]tetrazol-5-yl]-4-phenylpiperidine-1-carboxylic acid
CID 22240887
ethyl 4-[2-[(3-fluorophenyl)methyl]tetrazol-5-yl]-4-phenylpiperidine-1-carboxylate
CID 23600772
[3,4-bis(4-chlorophenyl)phenyl]-(4-ethyl-4-phenylpiperidin-1-yl)methanone
CID 10128471
8-benzoyl-3-[(4-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 83278820
[2-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
CID 19325537
2-[(4-chlorophenyl)methylsulfanyl]-1-[4-(4-methylbenzoyl)piperazin-1-yl]ethanone
CID 39566324
1-[4-(3,4-dichlorophenyl)benzoyl]-4-phenylpiperidine-4-carboxylic acid
CID 68508237
methyl 1-[4-(imidazol-1-ylmethyl)benzoyl]-4-phenylpiperidine-4-carboxylate
CID 55718655
2-[5-[1-(4-ethylphenyl)sulfonyl-4-phenylpiperidin-4-yl]tetrazol-2-yl]acetamide
CID 143087621
1-[1-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-4-phenylpiperidin-4-yl]ethanone
CID 46162223

Frequently Asked Questions

What is the IUPAC name of [4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]-4-phenylpiperidin-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]-4-phenylpiperidin-1-yl]-(4-methylphenyl)methanone (CID 22240851) is [4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]-4-phenylpiperidin-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]-4-phenylpiperidin-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]-4-phenylpiperidin-1-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCC(c3ccccc3)(c3nnn(Cc4ccc(Cl)cc4)n3)CC2)cc1.
What is the InChIKey of [4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]-4-phenylpiperidin-1-yl]-(4-methylphenyl)methanone?
The InChIKey is PJIGDOMQMCWLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN5O/c1-20-7-11-22(12-8-20)25(34)32-17-15-27(16-18-32,23-5-3-2-4-6-23)26-29-31-33(30-26)19-21-9-13-24(28)14-10-21/h2-14H,15-19H2,1H3.
What are the key properties of [4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]-4-phenylpiperidin-1-yl]-(4-methylphenyl)methanone?
[4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]-4-phenylpiperidin-1-yl]-(4-methylphenyl)methanone has a molecular weight of 471.99 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]-4-phenylpiperidin-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 22240851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).