ethane;1-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazin-1-yl]propan-2-one

C18H37N3O — CID 178000127

IUPACethane;1-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazin-1-yl]propan-2-one
SMILESCC.CC(=O)CN1CCN(CN2CCC(C(C)C)CC2)CC1
InChIInChI=1S/C16H31N3O.C2H6/c1-14(2)16-4-6-18(7-5-16)13-19-10-8-17(9-11-19)12-15(3)20;1-2/h14,16H,4-13H2,1-3H3;1-2H3
InChIKeyLBCUOAVIFXHEJI-UHFFFAOYSA-N
MW311.51 g/mol
LogP2.54
Rot. Bonds5

About ethane;1-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazin-1-yl]propan-2-one

ethane;1-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazin-1-yl]propan-2-one (PubChem CID 178000127) has the molecular formula C18H37N3O and a molecular weight of 311.51 g/mol. Its IUPAC name is ethane;1-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazin-1-yl]propan-2-one.

Molecular Properties

Compound Nameethane;1-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazin-1-yl]propan-2-one
PubChem CID178000127
Molecular FormulaC18H37N3O
Molecular Weight311.51 g/mol
Exact Mass311.29
IUPAC Nameethane;1-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazin-1-yl]propan-2-one
SMILESCC.CC(=O)CN1CCN(CN2CCC(C(C)C)CC2)CC1
InChIInChI=1S/C16H31N3O.C2H6/c1-14(2)16-4-6-18(7-5-16)13-19-10-8-17(9-11-19)12-15(3)20;1-2/h14,16H,4-13H2,1-3H3;1-2H3
InChIKeyLBCUOAVIFXHEJI-UHFFFAOYSA-N
XLogP2.54
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.51
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethane;1-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazin-1-yl]propan-2-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-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazin-1-yl]butan-2-one
CID 178000182
4-(4-propan-2-ylpiperidin-1-yl)butan-2-one
CID 57238765
1-cyclopentyl-2-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103498957
2-[(4-propan-2-ylpiperidin-1-yl)methyl]prop-2-enoic acid
CID 103498201
ethane;1-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]propan-2-one
CID 178000200
7-(4-propan-2-ylpiperidin-1-yl)heptan-2-one
CID 155402306
1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 12791779
2-[4,7-bis(carboxymethyl)-10-(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 56946868
ethane;1-piperidin-1-ylpropan-2-one
CID 90726504
ethane;1-[(3Z,5Z)-5-methyl-2-methylidenehepta-3,5-dienyl]-4-propan-2-ylpiperidine
CID 176983702
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-2-one
CID 82126762
1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-one
CID 58870209

Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazin-1-yl]propan-2-one?
The IUPAC name of ethane;1-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazin-1-yl]propan-2-one (CID 178000127) is ethane;1-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazin-1-yl]propan-2-one.
What is the SMILES notation for ethane;1-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazin-1-yl]propan-2-one?
The canonical SMILES for ethane;1-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazin-1-yl]propan-2-one is CC.CC(=O)CN1CCN(CN2CCC(C(C)C)CC2)CC1.
What is the InChIKey of ethane;1-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazin-1-yl]propan-2-one?
The InChIKey is LBCUOAVIFXHEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O.C2H6/c1-14(2)16-4-6-18(7-5-16)13-19-10-8-17(9-11-19)12-15(3)20;1-2/h14,16H,4-13H2,1-3H3;1-2H3.
What are the key properties of ethane;1-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazin-1-yl]propan-2-one?
ethane;1-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazin-1-yl]propan-2-one has a molecular weight of 311.51 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazin-1-yl]propan-2-one is sourced from PubChem (CID 178000127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).