3-phenyl-1-[4-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one

C26H31N7O2 — CID 55636487

IUPAC3-phenyl-1-[4-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one
SMILESO=C(CCc1ccccc1)N1CCC(C(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)CC1
InChIInChI=1S/C26H31N7O2/c34-24(12-11-21-7-3-1-4-8-21)30-15-13-22(14-16-30)25(35)31-17-19-32(20-18-31)26-27-28-29-33(26)23-9-5-2-6-10-23/h1-10,22H,11-20H2
InChIKeyAZEXICRXPMZTEU-UHFFFAOYSA-N
MW473.58 g/mol
LogP2.18
Rot. Bonds6

About 3-phenyl-1-[4-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one

3-phenyl-1-[4-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one (PubChem CID 55636487) has the molecular formula C26H31N7O2 and a molecular weight of 473.58 g/mol. Its IUPAC name is 3-phenyl-1-[4-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-phenyl-1-[4-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one
PubChem CID55636487
Molecular FormulaC26H31N7O2
Molecular Weight473.58 g/mol
Exact Mass473.25
IUPAC Name3-phenyl-1-[4-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one
SMILESO=C(CCc1ccccc1)N1CCC(C(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)CC1
InChIInChI=1S/C26H31N7O2/c34-24(12-11-21-7-3-1-4-8-21)30-15-13-22(14-16-30)25(35)31-17-19-32(20-18-31)26-27-28-29-33(26)23-9-5-2-6-10-23/h1-10,22H,11-20H2
InChIKeyAZEXICRXPMZTEU-UHFFFAOYSA-N
XLogP2.18
TPSA87.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-phenyl-1-[4-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one 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

1-[4-[1-(3-ethylphenyl)tetrazol-5-yl]piperazin-1-yl]-3-phenylpropan-1-one
CID 134788702
3-cyclohexyl-1-[4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one
CID 55916326
1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-2-prop-2-enylsulfanylethanone
CID 51086980
2-phenyl-1-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 1331173
3-(2-methylpropoxy)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-1-one
CID 55689866
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
N-cyclohexyl-4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]piperazine-1-carboxamide
CID 55634615
[2-(2-chlorophenyl)cyclopropyl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 55636451
1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 6930824
1-[4-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 56544721
4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]morpholine-2-carboxylic acid
CID 119239884

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[4-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-phenyl-1-[4-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one (CID 55636487) is 3-phenyl-1-[4-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-phenyl-1-[4-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-phenyl-1-[4-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one is O=C(CCc1ccccc1)N1CCC(C(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)CC1.
What is the InChIKey of 3-phenyl-1-[4-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one?
The InChIKey is AZEXICRXPMZTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O2/c34-24(12-11-21-7-3-1-4-8-21)30-15-13-22(14-16-30)25(35)31-17-19-32(20-18-31)26-27-28-29-33(26)23-9-5-2-6-10-23/h1-10,22H,11-20H2.
What are the key properties of 3-phenyl-1-[4-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one?
3-phenyl-1-[4-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one has a molecular weight of 473.58 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-[4-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 55636487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).