ethane;(4-methylpiperidin-1-yl)-(3-propan-2-ylpiperazin-1-yl)methanone

C16H33N3O — CID 144702631

IUPACethane;(4-methylpiperidin-1-yl)-(3-propan-2-ylpiperazin-1-yl)methanone
SMILESCC.CC1CCN(C(=O)N2CCNC(C(C)C)C2)CC1
InChIInChI=1S/C14H27N3O.C2H6/c1-11(2)13-10-17(9-6-15-13)14(18)16-7-4-12(3)5-8-16;1-2/h11-13,15H,4-10H2,1-3H3;1-2H3
InChIKeyWJYWBOPNKDGVGH-UHFFFAOYSA-N
MW283.46 g/mol
LogP2.79
Rot. Bonds1

About ethane;(4-methylpiperidin-1-yl)-(3-propan-2-ylpiperazin-1-yl)methanone

ethane;(4-methylpiperidin-1-yl)-(3-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 144702631) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is ethane;(4-methylpiperidin-1-yl)-(3-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Nameethane;(4-methylpiperidin-1-yl)-(3-propan-2-ylpiperazin-1-yl)methanone
PubChem CID144702631
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Nameethane;(4-methylpiperidin-1-yl)-(3-propan-2-ylpiperazin-1-yl)methanone
SMILESCC.CC1CCN(C(=O)N2CCNC(C(C)C)C2)CC1
InChIInChI=1S/C14H27N3O.C2H6/c1-11(2)13-10-17(9-6-15-13)14(18)16-7-4-12(3)5-8-16;1-2/h11-13,15H,4-10H2,1-3H3;1-2H3
InChIKeyWJYWBOPNKDGVGH-UHFFFAOYSA-N
XLogP2.79
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;(4-methylpiperidin-1-yl)-(3-propan-2-ylpiperazin-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

2,2-dimethyl-1-(3-propan-2-ylpiperazin-1-yl)propan-1-one
CID 82241664
azetidin-1-yl-(3-methylpyrrolidin-1-yl)methanone
CID 166738845
trifluoromethyl 3-propan-2-ylpiperazine-1-carboxylate
CID 175653965
(4-methylpiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 90447182
[(3S)-3-methylpiperazin-1-yl]-(3-methylpiperidin-1-yl)methanone
CID 104976373
[(3S)-3-methylpiperazin-1-yl]-piperidin-1-ylmethanone
CID 104976372
(4-methylpiperidin-1-yl)-[4-(2-methylpropyl)piperidin-1-yl]methanone
CID 167480595
1-(4-methylpiperidine-1-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918481
(4-hydroxypiperidin-1-yl)-(4-methylpiperidin-1-yl)methanone
CID 58959877
ethane;[4-(4-methylcyclohexyl)piperazin-1-yl]-[(3R)-3-methylpyrrolidin-1-yl]methanone
CID 177134556
ethane;[4-(4-methylcyclohexyl)piperazin-1-yl]-[(3S)-3-methylpyrrolidin-1-yl]methanone
CID 177134757
2-(dimethylamino)-1-(3-propan-2-yl-1,4-diazepan-1-yl)ethanone
CID 82242605

Frequently Asked Questions

What is the IUPAC name of ethane;(4-methylpiperidin-1-yl)-(3-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of ethane;(4-methylpiperidin-1-yl)-(3-propan-2-ylpiperazin-1-yl)methanone (CID 144702631) is ethane;(4-methylpiperidin-1-yl)-(3-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for ethane;(4-methylpiperidin-1-yl)-(3-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for ethane;(4-methylpiperidin-1-yl)-(3-propan-2-ylpiperazin-1-yl)methanone is CC.CC1CCN(C(=O)N2CCNC(C(C)C)C2)CC1.
What is the InChIKey of ethane;(4-methylpiperidin-1-yl)-(3-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is WJYWBOPNKDGVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O.C2H6/c1-11(2)13-10-17(9-6-15-13)14(18)16-7-4-12(3)5-8-16;1-2/h11-13,15H,4-10H2,1-3H3;1-2H3.
What are the key properties of ethane;(4-methylpiperidin-1-yl)-(3-propan-2-ylpiperazin-1-yl)methanone?
ethane;(4-methylpiperidin-1-yl)-(3-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 283.46 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4-methylpiperidin-1-yl)-(3-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 144702631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).