N-methyl-3-(2-methyltriazol-4-yl)-N-[[1-(4-propan-2-ylbenzoyl)piperidin-3-yl]methyl]propanamide

C23H33N5O2 — CID 167909987

IUPACN-methyl-3-(2-methyltriazol-4-yl)-N-[[1-(4-propan-2-ylbenzoyl)piperidin-3-yl]methyl]propanamide
SMILESCC(C)c1ccc(C(=O)N2CCCC(CN(C)C(=O)CCc3cnn(C)n3)C2)cc1
InChIInChI=1S/C23H33N5O2/c1-17(2)19-7-9-20(10-8-19)23(30)28-13-5-6-18(16-28)15-26(3)22(29)12-11-21-14-24-27(4)25-21/h7-10,14,17-18H,5-6,11-13,15-16H2,1-4H3
InChIKeyHZXSBSYDIQECJX-UHFFFAOYSA-N
MW411.55 g/mol
LogP2.88
Rot. Bonds7

About N-methyl-3-(2-methyltriazol-4-yl)-N-[[1-(4-propan-2-ylbenzoyl)piperidin-3-yl]methyl]propanamide

N-methyl-3-(2-methyltriazol-4-yl)-N-[[1-(4-propan-2-ylbenzoyl)piperidin-3-yl]methyl]propanamide (PubChem CID 167909987) has the molecular formula C23H33N5O2 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-methyl-3-(2-methyltriazol-4-yl)-N-[[1-(4-propan-2-ylbenzoyl)piperidin-3-yl]methyl]propanamide.

Molecular Properties

Compound NameN-methyl-3-(2-methyltriazol-4-yl)-N-[[1-(4-propan-2-ylbenzoyl)piperidin-3-yl]methyl]propanamide
PubChem CID167909987
Molecular FormulaC23H33N5O2
Molecular Weight411.55 g/mol
Exact Mass411.26
IUPAC NameN-methyl-3-(2-methyltriazol-4-yl)-N-[[1-(4-propan-2-ylbenzoyl)piperidin-3-yl]methyl]propanamide
SMILESCC(C)c1ccc(C(=O)N2CCCC(CN(C)C(=O)CCc3cnn(C)n3)C2)cc1
InChIInChI=1S/C23H33N5O2/c1-17(2)19-7-9-20(10-8-19)23(30)28-13-5-6-18(16-28)15-26(3)22(29)12-11-21-14-24-27(4)25-21/h7-10,14,17-18H,5-6,11-13,15-16H2,1-4H3
InChIKeyHZXSBSYDIQECJX-UHFFFAOYSA-N
XLogP2.88
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-3-(2-methyltriazol-4-yl)-N-[[1-(4-propan-2-ylbenzoyl)piperidin-3-yl]methyl]propanamide 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

[(3R)-3-aminopyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone;hydrochloride
CID 119413093
ethyl (3R)-1-(4-propan-2-ylbenzoyl)piperidine-3-carboxylate
CID 2385973
[3-(bromomethyl)piperidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 80660500
tert-butyl N-[[(3R)-1-benzoylpiperidin-3-yl]methyl]-N-methylcarbamate
CID 94806593
N-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-pyrazin-2-ylpropanamide
CID 118784045
[3-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 61204344
[(3S)-3-fluoropyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 176746595
1-[3-(hydroxymethyl)piperidin-1-yl]-4-methyl-3-(4-propan-2-ylphenyl)pentan-1-one
CID 110633160
N-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-oxo-4-phenylbutanamide
CID 95208686
3-(2-aminophenyl)-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]propanamide
CID 120612535
azepan-1-yl-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]methanone
CID 55408103
(3-methylazetidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 176864535

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-methyltriazol-4-yl)-N-[[1-(4-propan-2-ylbenzoyl)piperidin-3-yl]methyl]propanamide?
The IUPAC name of N-methyl-3-(2-methyltriazol-4-yl)-N-[[1-(4-propan-2-ylbenzoyl)piperidin-3-yl]methyl]propanamide (CID 167909987) is N-methyl-3-(2-methyltriazol-4-yl)-N-[[1-(4-propan-2-ylbenzoyl)piperidin-3-yl]methyl]propanamide.
What is the SMILES notation for N-methyl-3-(2-methyltriazol-4-yl)-N-[[1-(4-propan-2-ylbenzoyl)piperidin-3-yl]methyl]propanamide?
The canonical SMILES for N-methyl-3-(2-methyltriazol-4-yl)-N-[[1-(4-propan-2-ylbenzoyl)piperidin-3-yl]methyl]propanamide is CC(C)c1ccc(C(=O)N2CCCC(CN(C)C(=O)CCc3cnn(C)n3)C2)cc1.
What is the InChIKey of N-methyl-3-(2-methyltriazol-4-yl)-N-[[1-(4-propan-2-ylbenzoyl)piperidin-3-yl]methyl]propanamide?
The InChIKey is HZXSBSYDIQECJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O2/c1-17(2)19-7-9-20(10-8-19)23(30)28-13-5-6-18(16-28)15-26(3)22(29)12-11-21-14-24-27(4)25-21/h7-10,14,17-18H,5-6,11-13,15-16H2,1-4H3.
What are the key properties of N-methyl-3-(2-methyltriazol-4-yl)-N-[[1-(4-propan-2-ylbenzoyl)piperidin-3-yl]methyl]propanamide?
N-methyl-3-(2-methyltriazol-4-yl)-N-[[1-(4-propan-2-ylbenzoyl)piperidin-3-yl]methyl]propanamide has a molecular weight of 411.55 g/mol, XLogP of 2.88, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-methyltriazol-4-yl)-N-[[1-(4-propan-2-ylbenzoyl)piperidin-3-yl]methyl]propanamide is sourced from PubChem (CID 167909987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).