ethane;(4-ethylcyclohexyl)-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]methanone

C23H45N3O — CID 176683952

IUPACethane;(4-ethylcyclohexyl)-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
SMILESCC.CCC1CCC(C(=O)N2CCC(CN3CCN(CC)CC3)CC2)CC1
InChIInChI=1S/C21H39N3O.C2H6/c1-3-18-5-7-20(8-6-18)21(25)24-11-9-19(10-12-24)17-23-15-13-22(4-2)14-16-23;1-2/h18-20H,3-17H2,1-2H3;1-2H3
InChIKeyOWMZSMVMBZVWGU-UHFFFAOYSA-N
MW379.63 g/mol
LogP4.11
Rot. Bonds5

About ethane;(4-ethylcyclohexyl)-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]methanone

ethane;(4-ethylcyclohexyl)-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]methanone (PubChem CID 176683952) has the molecular formula C23H45N3O and a molecular weight of 379.63 g/mol. Its IUPAC name is ethane;(4-ethylcyclohexyl)-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Nameethane;(4-ethylcyclohexyl)-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
PubChem CID176683952
Molecular FormulaC23H45N3O
Molecular Weight379.63 g/mol
Exact Mass379.36
IUPAC Nameethane;(4-ethylcyclohexyl)-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
SMILESCC.CCC1CCC(C(=O)N2CCC(CN3CCN(CC)CC3)CC2)CC1
InChIInChI=1S/C21H39N3O.C2H6/c1-3-18-5-7-20(8-6-18)21(25)24-11-9-19(10-12-24)17-23-15-13-22(4-2)14-16-23;1-2/h18-20H,3-17H2,1-2H3;1-2H3
InChIKeyOWMZSMVMBZVWGU-UHFFFAOYSA-N
XLogP4.11
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.63
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;(4-ethylcyclohexyl)-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

[4-(aminomethyl)cyclohexyl]-(4-ethylpiperidin-1-yl)methanone
CID 62807473
cyclopropyl-[4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone
CID 91919810
cyclopropyl-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 60773958
[(3R)-1-ethylpyrrolidin-3-yl]-[4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]methanone
CID 177134741
(4-ethylcyclohexyl)-piperazin-1-ylmethanone
CID 118883051
(4-ethylcyclohexyl)-[4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidin-1-yl]methanone
CID 167480439
cis-(1S,3R)-3-(4-ethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114091996
[4-(cyclopropylmethyl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 54872509
(1-ethylpiperidin-4-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 167010736
[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 167480597
[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 3153510
cyclopropyl-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone
CID 110736017

Frequently Asked Questions

What is the IUPAC name of ethane;(4-ethylcyclohexyl)-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of ethane;(4-ethylcyclohexyl)-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]methanone (CID 176683952) is ethane;(4-ethylcyclohexyl)-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for ethane;(4-ethylcyclohexyl)-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for ethane;(4-ethylcyclohexyl)-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]methanone is CC.CCC1CCC(C(=O)N2CCC(CN3CCN(CC)CC3)CC2)CC1.
What is the InChIKey of ethane;(4-ethylcyclohexyl)-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is OWMZSMVMBZVWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N3O.C2H6/c1-3-18-5-7-20(8-6-18)21(25)24-11-9-19(10-12-24)17-23-15-13-22(4-2)14-16-23;1-2/h18-20H,3-17H2,1-2H3;1-2H3.
What are the key properties of ethane;(4-ethylcyclohexyl)-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]methanone?
ethane;(4-ethylcyclohexyl)-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 379.63 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4-ethylcyclohexyl)-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 176683952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).