2-(cyclohexylmethoxy)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone

C19H35N3O2 — CID 59618609

IUPAC2-(cyclohexylmethoxy)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
SMILESCN1CCC(N2CCN(C(=O)COCC3CCCCC3)CC2)CC1
InChIInChI=1S/C19H35N3O2/c1-20-9-7-18(8-10-20)21-11-13-22(14-12-21)19(23)16-24-15-17-5-3-2-4-6-17/h17-18H,2-16H2,1H3
InChIKeyVRHXWRLYLAEMEN-UHFFFAOYSA-N
MW337.51 g/mol
LogP1.82
Rot. Bonds5

About 2-(cyclohexylmethoxy)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone

2-(cyclohexylmethoxy)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone (PubChem CID 59618609) has the molecular formula C19H35N3O2 and a molecular weight of 337.51 g/mol. Its IUPAC name is 2-(cyclohexylmethoxy)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(cyclohexylmethoxy)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
PubChem CID59618609
Molecular FormulaC19H35N3O2
Molecular Weight337.51 g/mol
Exact Mass337.27
IUPAC Name2-(cyclohexylmethoxy)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
SMILESCN1CCC(N2CCN(C(=O)COCC3CCCCC3)CC2)CC1
InChIInChI=1S/C19H35N3O2/c1-20-9-7-18(8-10-20)21-11-13-22(14-12-21)19(23)16-24-15-17-5-3-2-4-6-17/h17-18H,2-16H2,1H3
InChIKeyVRHXWRLYLAEMEN-UHFFFAOYSA-N
XLogP1.82
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(pyrrolidin-2-ylmethoxy)ethanone
CID 68778881
1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-[[(3R)-morpholin-3-yl]methoxy]ethanone
CID 129384992
2-(cyclopentylamino)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
CID 22321698
1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 178115862
tert-butyl N-cyclohexyl-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]carbamate
CID 22321740
2-(cyclopropylmethoxy)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 99583114
1-(4-cyclohexylpiperazin-1-yl)propan-1-one
CID 113073042
cyclohexylmethyl 4-methylpiperazine-1-carboxylate
CID 71187962
2-[[1-(2,6-dichlorophenyl)sulfonylpyrrolidin-2-yl]methoxy]-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]ethanone
CID 67454318
2-(piperidin-4-ylmethoxy)-1-pyrrolidin-1-ylethanone
CID 39062936
(4-cyclopentylpiperazin-1-yl)-(4-methylpiperazin-1-yl)methanone
CID 121184728
2-(4-methylpiperidin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
CID 171586521

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethoxy)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(cyclohexylmethoxy)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone (CID 59618609) is 2-(cyclohexylmethoxy)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(cyclohexylmethoxy)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(cyclohexylmethoxy)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone is CN1CCC(N2CCN(C(=O)COCC3CCCCC3)CC2)CC1.
What is the InChIKey of 2-(cyclohexylmethoxy)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone?
The InChIKey is VRHXWRLYLAEMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O2/c1-20-9-7-18(8-10-20)21-11-13-22(14-12-21)19(23)16-24-15-17-5-3-2-4-6-17/h17-18H,2-16H2,1H3.
What are the key properties of 2-(cyclohexylmethoxy)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone?
2-(cyclohexylmethoxy)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone has a molecular weight of 337.51 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethoxy)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 59618609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).