1-[4-[[4-(4-propan-2-ylpiperidin-1-yl)cyclohexyl]methyl]piperidin-1-yl]ethanone

C22H40N2O — CID 170613842

IUPAC1-[4-[[4-(4-propan-2-ylpiperidin-1-yl)cyclohexyl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CC2CCC(N3CCC(C(C)C)CC3)CC2)CC1
InChIInChI=1S/C22H40N2O/c1-17(2)21-10-14-24(15-11-21)22-6-4-19(5-7-22)16-20-8-12-23(13-9-20)18(3)25/h17,19-22H,4-16H2,1-3H3
InChIKeyGKBYSARMBLDOGX-UHFFFAOYSA-N
MW348.58 g/mol
LogP4.56
Rot. Bonds4

About 1-[4-[[4-(4-propan-2-ylpiperidin-1-yl)cyclohexyl]methyl]piperidin-1-yl]ethanone

1-[4-[[4-(4-propan-2-ylpiperidin-1-yl)cyclohexyl]methyl]piperidin-1-yl]ethanone (PubChem CID 170613842) has the molecular formula C22H40N2O and a molecular weight of 348.58 g/mol. Its IUPAC name is 1-[4-[[4-(4-propan-2-ylpiperidin-1-yl)cyclohexyl]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[4-(4-propan-2-ylpiperidin-1-yl)cyclohexyl]methyl]piperidin-1-yl]ethanone
PubChem CID170613842
Molecular FormulaC22H40N2O
Molecular Weight348.58 g/mol
Exact Mass348.31
IUPAC Name1-[4-[[4-(4-propan-2-ylpiperidin-1-yl)cyclohexyl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CC2CCC(N3CCC(C(C)C)CC3)CC2)CC1
InChIInChI=1S/C22H40N2O/c1-17(2)21-10-14-24(15-11-21)22-6-4-19(5-7-22)16-20-8-12-23(13-9-20)18(3)25/h17,19-22H,4-16H2,1-3H3
InChIKeyGKBYSARMBLDOGX-UHFFFAOYSA-N
XLogP4.56
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.58
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-[[4-(4-propan-2-ylpiperidin-1-yl)cyclohexyl]methyl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 12791779
1-[3-(4-propan-2-ylpiperidin-1-yl)azetidin-1-yl]ethanone
CID 167480115
1-[(3R)-3-propan-2-ylpyrrolidin-1-yl]ethanone
CID 90251705
3-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]propanoic acid
CID 65059979
1-[4-[4-(2-aminoethyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 114239065
[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]-[(3S)-3-propan-2-ylpyrrolidin-1-yl]methanone
CID 176797082
1-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]ethanone
CID 156836562
1-[4-(propan-2-yloxymethyl)piperidin-1-yl]ethanone
CID 147601847
1-[4-(1-bromoethyl)piperidin-1-yl]ethanone
CID 106839275
ethane;2-methylpropyl 4-[(1-acetylpiperidin-4-yl)methyl]piperidine-1-carboxylate
CID 171073059
2-methyl-1-(4-propan-2-ylpiperidin-1-yl)prop-2-en-1-one
CID 91076591
(3R)-1-cyclopropyl-3-propan-2-ylpyrrolidine
CID 176871343

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(4-propan-2-ylpiperidin-1-yl)cyclohexyl]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[4-(4-propan-2-ylpiperidin-1-yl)cyclohexyl]methyl]piperidin-1-yl]ethanone (CID 170613842) is 1-[4-[[4-(4-propan-2-ylpiperidin-1-yl)cyclohexyl]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[4-(4-propan-2-ylpiperidin-1-yl)cyclohexyl]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[4-(4-propan-2-ylpiperidin-1-yl)cyclohexyl]methyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(CC2CCC(N3CCC(C(C)C)CC3)CC2)CC1.
What is the InChIKey of 1-[4-[[4-(4-propan-2-ylpiperidin-1-yl)cyclohexyl]methyl]piperidin-1-yl]ethanone?
The InChIKey is GKBYSARMBLDOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2O/c1-17(2)21-10-14-24(15-11-21)22-6-4-19(5-7-22)16-20-8-12-23(13-9-20)18(3)25/h17,19-22H,4-16H2,1-3H3.
What are the key properties of 1-[4-[[4-(4-propan-2-ylpiperidin-1-yl)cyclohexyl]methyl]piperidin-1-yl]ethanone?
1-[4-[[4-(4-propan-2-ylpiperidin-1-yl)cyclohexyl]methyl]piperidin-1-yl]ethanone has a molecular weight of 348.58 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(4-propan-2-ylpiperidin-1-yl)cyclohexyl]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 170613842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).