[4-[(1-ethylpiperidin-3-yl)methyl]piperazin-1-yl]-(4-piperidin-4-yloxycyclohexyl)methanone

C24H44N4O2 — CID 171641865

IUPAC[4-[(1-ethylpiperidin-3-yl)methyl]piperazin-1-yl]-(4-piperidin-4-yloxycyclohexyl)methanone
SMILESCCN1CCCC(CN2CCN(C(=O)C3CCC(OC4CCNCC4)CC3)CC2)C1
InChIInChI=1S/C24H44N4O2/c1-2-26-13-3-4-20(18-26)19-27-14-16-28(17-15-27)24(29)21-5-7-22(8-6-21)30-23-9-11-25-12-10-23/h20-23,25H,2-19H2,1H3
InChIKeyGMKOXIYIVHCGKY-UHFFFAOYSA-N
MW420.64 g/mol
LogP2.19
Rot. Bonds6

About [4-[(1-ethylpiperidin-3-yl)methyl]piperazin-1-yl]-(4-piperidin-4-yloxycyclohexyl)methanone

[4-[(1-ethylpiperidin-3-yl)methyl]piperazin-1-yl]-(4-piperidin-4-yloxycyclohexyl)methanone (PubChem CID 171641865) has the molecular formula C24H44N4O2 and a molecular weight of 420.64 g/mol. Its IUPAC name is [4-[(1-ethylpiperidin-3-yl)methyl]piperazin-1-yl]-(4-piperidin-4-yloxycyclohexyl)methanone.

Molecular Properties

Compound Name[4-[(1-ethylpiperidin-3-yl)methyl]piperazin-1-yl]-(4-piperidin-4-yloxycyclohexyl)methanone
PubChem CID171641865
Molecular FormulaC24H44N4O2
Molecular Weight420.64 g/mol
Exact Mass420.35
IUPAC Name[4-[(1-ethylpiperidin-3-yl)methyl]piperazin-1-yl]-(4-piperidin-4-yloxycyclohexyl)methanone
SMILESCCN1CCCC(CN2CCN(C(=O)C3CCC(OC4CCNCC4)CC3)CC2)C1
InChIInChI=1S/C24H44N4O2/c1-2-26-13-3-4-20(18-26)19-27-14-16-28(17-15-27)24(29)21-5-7-22(8-6-21)30-23-9-11-25-12-10-23/h20-23,25H,2-19H2,1H3
InChIKeyGMKOXIYIVHCGKY-UHFFFAOYSA-N
XLogP2.19
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.64
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[(1-ethylpiperidin-3-yl)methyl]piperazin-1-yl]-(4-piperidin-4-yloxycyclohexyl)methanone with MolForge

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Related Compounds

1-[(1-ethylpyrrolidin-3-yl)methyl]-4-[(4-piperidin-4-yloxycyclohexyl)methyl]piperazine
CID 171641363
[4-(cyclopropylmethyl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 54872509
cyclopropyl-[4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone
CID 91919810
1-ethyl-3-[[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methyl]piperidine
CID 171641813
[(3R)-1-ethylpyrrolidin-3-yl]-[4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]methanone
CID 177134741
ethyl (3R)-3-(piperazin-1-ylmethyl)piperidine-1-carboxylate
CID 94830781
(4-cyclopentyloxypiperidin-1-yl)-piperidin-4-ylmethanone
CID 119312944
(4-methylpiperidin-1-yl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone
CID 119930695
ethane;(4-ethylcyclohexyl)-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
CID 176683952
N,N-dimethyl-2-[4-(piperidine-4-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 60963961
1-[3-[4-(cyclohexylmethyl)-1,4-diazepane-1-carbonyl]piperidin-1-yl]butan-1-one
CID 55955082
[4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
CID 177134798

Frequently Asked Questions

What is the IUPAC name of [4-[(1-ethylpiperidin-3-yl)methyl]piperazin-1-yl]-(4-piperidin-4-yloxycyclohexyl)methanone?
The IUPAC name of [4-[(1-ethylpiperidin-3-yl)methyl]piperazin-1-yl]-(4-piperidin-4-yloxycyclohexyl)methanone (CID 171641865) is [4-[(1-ethylpiperidin-3-yl)methyl]piperazin-1-yl]-(4-piperidin-4-yloxycyclohexyl)methanone.
What is the SMILES notation for [4-[(1-ethylpiperidin-3-yl)methyl]piperazin-1-yl]-(4-piperidin-4-yloxycyclohexyl)methanone?
The canonical SMILES for [4-[(1-ethylpiperidin-3-yl)methyl]piperazin-1-yl]-(4-piperidin-4-yloxycyclohexyl)methanone is CCN1CCCC(CN2CCN(C(=O)C3CCC(OC4CCNCC4)CC3)CC2)C1.
What is the InChIKey of [4-[(1-ethylpiperidin-3-yl)methyl]piperazin-1-yl]-(4-piperidin-4-yloxycyclohexyl)methanone?
The InChIKey is GMKOXIYIVHCGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N4O2/c1-2-26-13-3-4-20(18-26)19-27-14-16-28(17-15-27)24(29)21-5-7-22(8-6-21)30-23-9-11-25-12-10-23/h20-23,25H,2-19H2,1H3.
What are the key properties of [4-[(1-ethylpiperidin-3-yl)methyl]piperazin-1-yl]-(4-piperidin-4-yloxycyclohexyl)methanone?
[4-[(1-ethylpiperidin-3-yl)methyl]piperazin-1-yl]-(4-piperidin-4-yloxycyclohexyl)methanone has a molecular weight of 420.64 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-ethylpiperidin-3-yl)methyl]piperazin-1-yl]-(4-piperidin-4-yloxycyclohexyl)methanone is sourced from PubChem (CID 171641865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).