[4-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone

C18H26N6O — CID 100672915

IUPAC[4-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)N2CCN([C@@H](C)c3nnnn3C)CC2)cc1
InChIInChI=1S/C18H26N6O/c1-13(2)15-5-7-16(8-6-15)18(25)24-11-9-23(10-12-24)14(3)17-19-20-21-22(17)4/h5-8,13-14H,9-12H2,1-4H3/t14-/m0/s1
InChIKeyWUFYZFAFQHBPTJ-AWEZNQCLSA-N
MW342.45 g/mol
LogP1.85
Rot. Bonds4

About [4-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone

[4-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone (PubChem CID 100672915) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is [4-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name[4-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
PubChem CID100672915
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name[4-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)N2CCN([C@@H](C)c3nnnn3C)CC2)cc1
InChIInChI=1S/C18H26N6O/c1-13(2)15-5-7-16(8-6-15)18(25)24-11-9-23(10-12-24)14(3)17-19-20-21-22(17)4/h5-8,13-14H,9-12H2,1-4H3/t14-/m0/s1
InChIKeyWUFYZFAFQHBPTJ-AWEZNQCLSA-N
XLogP1.85
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]piperazin-1-yl]-(4-propan-2-ylphenyl)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

4-[4-[(1S)-1-(4-propan-2-ylphenyl)ethyl]piperazine-1-carbonyl]benzoic acid
CID 2051023
[4-[(1R)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 97315741
(4-methylpiperazin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone
CID 59232586
[4-(2-hydroxyethyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone chloride
CID 53312695
[4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 39991441
[4-(4,5-dimethyl-1,2,4-triazol-3-yl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 126812437
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 55574956
(3-methyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]methanone
CID 167899905
(3-methylazetidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 176864535
(4-aminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 18071748
[4-(3-methylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 110365418
[4-(4-chlorophenyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 2169854

Frequently Asked Questions

What is the IUPAC name of [4-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone?
The IUPAC name of [4-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone (CID 100672915) is [4-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone.
What is the SMILES notation for [4-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone?
The canonical SMILES for [4-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone is CC(C)c1ccc(C(=O)N2CCN([C@@H](C)c3nnnn3C)CC2)cc1.
What is the InChIKey of [4-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone?
The InChIKey is WUFYZFAFQHBPTJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H26N6O/c1-13(2)15-5-7-16(8-6-15)18(25)24-11-9-23(10-12-24)14(3)17-19-20-21-22(17)4/h5-8,13-14H,9-12H2,1-4H3/t14-/m0/s1.
What are the key properties of [4-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone?
[4-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone has a molecular weight of 342.45 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 100672915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).