piperidin-1-yl-[1-(4-propan-2-ylphenyl)-5-pyrrol-1-yltriazol-4-yl]methanone

C21H25N5O — CID 22425245

IUPACpiperidin-1-yl-[1-(4-propan-2-ylphenyl)-5-pyrrol-1-yltriazol-4-yl]methanone
SMILESCC(C)c1ccc(-n2nnc(C(=O)N3CCCCC3)c2-n2cccc2)cc1
InChIInChI=1S/C21H25N5O/c1-16(2)17-8-10-18(11-9-17)26-20(24-12-6-7-13-24)19(22-23-26)21(27)25-14-4-3-5-15-25/h6-13,16H,3-5,14-15H2,1-2H3
InChIKeyYCEBFOYNHNGUPU-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.81
Rot. Bonds4

About piperidin-1-yl-[1-(4-propan-2-ylphenyl)-5-pyrrol-1-yltriazol-4-yl]methanone

piperidin-1-yl-[1-(4-propan-2-ylphenyl)-5-pyrrol-1-yltriazol-4-yl]methanone (PubChem CID 22425245) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is piperidin-1-yl-[1-(4-propan-2-ylphenyl)-5-pyrrol-1-yltriazol-4-yl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[1-(4-propan-2-ylphenyl)-5-pyrrol-1-yltriazol-4-yl]methanone
PubChem CID22425245
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Namepiperidin-1-yl-[1-(4-propan-2-ylphenyl)-5-pyrrol-1-yltriazol-4-yl]methanone
SMILESCC(C)c1ccc(-n2nnc(C(=O)N3CCCCC3)c2-n2cccc2)cc1
InChIInChI=1S/C21H25N5O/c1-16(2)17-8-10-18(11-9-17)26-20(24-12-6-7-13-24)19(22-23-26)21(27)25-14-4-3-5-15-25/h6-13,16H,3-5,14-15H2,1-2H3
InChIKeyYCEBFOYNHNGUPU-UHFFFAOYSA-N
XLogP3.81
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze piperidin-1-yl-[1-(4-propan-2-ylphenyl)-5-pyrrol-1-yltriazol-4-yl]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

[5-amino-1-(4-chlorophenyl)triazol-4-yl]-piperidin-1-ylmethanone
CID 6498260
[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-piperidin-1-ylmethanone
CID 20915110
(2R)-1-(azepan-1-yl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropan-1-one
CID 8997529
(2S)-1-(azepan-1-yl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropan-1-one
CID 8997526
[4-[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 38043269
piperidin-1-yl-(4-pyrrol-1-ylphenyl)methanone
CID 1472874
(2R)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanyl-1-pyrrolidin-1-ylpropan-1-one
CID 7713689
[2-(2-chlorophenyl)-5-ethyl-1-(4-propan-2-ylphenyl)imidazol-4-yl]-piperidin-1-ylmethanone
CID 174473520
[5-methyl-1-(3-nitrophenyl)triazol-4-yl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone
CID 31768948
pyrrolidin-1-yl-(4-pyrrol-1-ylphenyl)methanone
CID 3728001
1-(4-propan-2-ylphenyl)-5-pyridin-3-yltriazole-4-carboxylic acid
CID 53489601
1-(4-propan-2-ylphenyl)-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxylic acid
CID 97036232

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[1-(4-propan-2-ylphenyl)-5-pyrrol-1-yltriazol-4-yl]methanone?
The IUPAC name of piperidin-1-yl-[1-(4-propan-2-ylphenyl)-5-pyrrol-1-yltriazol-4-yl]methanone (CID 22425245) is piperidin-1-yl-[1-(4-propan-2-ylphenyl)-5-pyrrol-1-yltriazol-4-yl]methanone.
What is the SMILES notation for piperidin-1-yl-[1-(4-propan-2-ylphenyl)-5-pyrrol-1-yltriazol-4-yl]methanone?
The canonical SMILES for piperidin-1-yl-[1-(4-propan-2-ylphenyl)-5-pyrrol-1-yltriazol-4-yl]methanone is CC(C)c1ccc(-n2nnc(C(=O)N3CCCCC3)c2-n2cccc2)cc1.
What is the InChIKey of piperidin-1-yl-[1-(4-propan-2-ylphenyl)-5-pyrrol-1-yltriazol-4-yl]methanone?
The InChIKey is YCEBFOYNHNGUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-16(2)17-8-10-18(11-9-17)26-20(24-12-6-7-13-24)19(22-23-26)21(27)25-14-4-3-5-15-25/h6-13,16H,3-5,14-15H2,1-2H3.
What are the key properties of piperidin-1-yl-[1-(4-propan-2-ylphenyl)-5-pyrrol-1-yltriazol-4-yl]methanone?
piperidin-1-yl-[1-(4-propan-2-ylphenyl)-5-pyrrol-1-yltriazol-4-yl]methanone has a molecular weight of 363.47 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[1-(4-propan-2-ylphenyl)-5-pyrrol-1-yltriazol-4-yl]methanone is sourced from PubChem (CID 22425245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).