(1-tert-butylpiperidin-4-yl)-[(3S)-4-(2,2-dimethylpropyl)-3-methylpiperazin-1-yl]methanone

C20H39N3O — CID 171429799

IUPAC(1-tert-butylpiperidin-4-yl)-[(3S)-4-(2,2-dimethylpropyl)-3-methylpiperazin-1-yl]methanone
SMILESC[C@H]1CN(C(=O)C2CCN(C(C)(C)C)CC2)CCN1CC(C)(C)C
InChIInChI=1S/C20H39N3O/c1-16-14-21(12-13-22(16)15-19(2,3)4)18(24)17-8-10-23(11-9-17)20(5,6)7/h16-17H,8-15H2,1-7H3/t16-/m0/s1
InChIKeyWTPPWDLXRGRVDJ-INIZCTEOSA-N
MW337.55 g/mol
LogP3.08
Rot. Bonds2

About (1-tert-butylpiperidin-4-yl)-[(3S)-4-(2,2-dimethylpropyl)-3-methylpiperazin-1-yl]methanone

(1-tert-butylpiperidin-4-yl)-[(3S)-4-(2,2-dimethylpropyl)-3-methylpiperazin-1-yl]methanone (PubChem CID 171429799) has the molecular formula C20H39N3O and a molecular weight of 337.55 g/mol. Its IUPAC name is (1-tert-butylpiperidin-4-yl)-[(3S)-4-(2,2-dimethylpropyl)-3-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-tert-butylpiperidin-4-yl)-[(3S)-4-(2,2-dimethylpropyl)-3-methylpiperazin-1-yl]methanone
PubChem CID171429799
Molecular FormulaC20H39N3O
Molecular Weight337.55 g/mol
Exact Mass337.31
IUPAC Name(1-tert-butylpiperidin-4-yl)-[(3S)-4-(2,2-dimethylpropyl)-3-methylpiperazin-1-yl]methanone
SMILESC[C@H]1CN(C(=O)C2CCN(C(C)(C)C)CC2)CCN1CC(C)(C)C
InChIInChI=1S/C20H39N3O/c1-16-14-21(12-13-22(16)15-19(2,3)4)18(24)17-8-10-23(11-9-17)20(5,6)7/h16-17H,8-15H2,1-7H3/t16-/m0/s1
InChIKeyWTPPWDLXRGRVDJ-INIZCTEOSA-N
XLogP3.08
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.55
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1-tert-butylpiperidin-4-yl)-[(3S)-4-(2,2-dimethylpropyl)-3-methylpiperazin-1-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

4-(4-ethyl-3-methylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783355
(1-tert-butylpiperidin-4-yl)-morpholin-4-ylmethanone
CID 21061611
2-tert-butyl-6-[(2R,5S)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3S)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3R)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperazine;(4-tert-butylpiperazin-1-yl)-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone
CID 159887139
1-[1-(1-tert-butylpiperidine-4-carbonyl)piperidin-4-yl]-3,3-dimethylbutan-2-one
CID 170668413
1-(2,2-dimethylpropyl)-6-methylpiperidine-3-carboxylic acid
CID 130901537
1-tert-butyl-4-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]piperazine
CID 134413729
(4-benzyl-3-methylpiperazin-1-yl)-cyclobutylmethanone
CID 110657856
3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxylic acid
CID 174236619
1-[1-(1-tert-butylpiperidine-4-carbonyl)-5,5-dimethylpiperidin-3-yl]-2,2-dimethylpropan-1-one
CID 170668473
(3-amino-4-methylcyclohexyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 55218094
1-[3-(1-tert-butylpiperidine-4-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]-2,2-dimethylpropan-1-one
CID 170668556
1-[4-[[4-(1-tert-butylpiperidine-4-carbonyl)piperazin-1-yl]methyl]phenyl]-2,2-dimethylpropan-1-one
CID 170668393

Frequently Asked Questions

What is the IUPAC name of (1-tert-butylpiperidin-4-yl)-[(3S)-4-(2,2-dimethylpropyl)-3-methylpiperazin-1-yl]methanone?
The IUPAC name of (1-tert-butylpiperidin-4-yl)-[(3S)-4-(2,2-dimethylpropyl)-3-methylpiperazin-1-yl]methanone (CID 171429799) is (1-tert-butylpiperidin-4-yl)-[(3S)-4-(2,2-dimethylpropyl)-3-methylpiperazin-1-yl]methanone.
What is the SMILES notation for (1-tert-butylpiperidin-4-yl)-[(3S)-4-(2,2-dimethylpropyl)-3-methylpiperazin-1-yl]methanone?
The canonical SMILES for (1-tert-butylpiperidin-4-yl)-[(3S)-4-(2,2-dimethylpropyl)-3-methylpiperazin-1-yl]methanone is C[C@H]1CN(C(=O)C2CCN(C(C)(C)C)CC2)CCN1CC(C)(C)C.
What is the InChIKey of (1-tert-butylpiperidin-4-yl)-[(3S)-4-(2,2-dimethylpropyl)-3-methylpiperazin-1-yl]methanone?
The InChIKey is WTPPWDLXRGRVDJ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H39N3O/c1-16-14-21(12-13-22(16)15-19(2,3)4)18(24)17-8-10-23(11-9-17)20(5,6)7/h16-17H,8-15H2,1-7H3/t16-/m0/s1.
What are the key properties of (1-tert-butylpiperidin-4-yl)-[(3S)-4-(2,2-dimethylpropyl)-3-methylpiperazin-1-yl]methanone?
(1-tert-butylpiperidin-4-yl)-[(3S)-4-(2,2-dimethylpropyl)-3-methylpiperazin-1-yl]methanone has a molecular weight of 337.55 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butylpiperidin-4-yl)-[(3S)-4-(2,2-dimethylpropyl)-3-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 171429799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).