[4-(1-methylpiperidin-4-yl)cyclohexyl]-[4-(2-methylpropyl)piperidin-1-yl]methanone

C22H40N2O — CID 167480031

IUPAC[4-(1-methylpiperidin-4-yl)cyclohexyl]-[4-(2-methylpropyl)piperidin-1-yl]methanone
SMILESCC(C)CC1CCN(C(=O)C2CCC(C3CCN(C)CC3)CC2)CC1
InChIInChI=1S/C22H40N2O/c1-17(2)16-18-8-14-24(15-9-18)22(25)21-6-4-19(5-7-21)20-10-12-23(3)13-11-20/h17-21H,4-16H2,1-3H3
InChIKeyBWYAAWXRJYTNLX-UHFFFAOYSA-N
MW348.58 g/mol
LogP4.42
Rot. Bonds4

About [4-(1-methylpiperidin-4-yl)cyclohexyl]-[4-(2-methylpropyl)piperidin-1-yl]methanone

[4-(1-methylpiperidin-4-yl)cyclohexyl]-[4-(2-methylpropyl)piperidin-1-yl]methanone (PubChem CID 167480031) has the molecular formula C22H40N2O and a molecular weight of 348.58 g/mol. Its IUPAC name is [4-(1-methylpiperidin-4-yl)cyclohexyl]-[4-(2-methylpropyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(1-methylpiperidin-4-yl)cyclohexyl]-[4-(2-methylpropyl)piperidin-1-yl]methanone
PubChem CID167480031
Molecular FormulaC22H40N2O
Molecular Weight348.58 g/mol
Exact Mass348.31
IUPAC Name[4-(1-methylpiperidin-4-yl)cyclohexyl]-[4-(2-methylpropyl)piperidin-1-yl]methanone
SMILESCC(C)CC1CCN(C(=O)C2CCC(C3CCN(C)CC3)CC2)CC1
InChIInChI=1S/C22H40N2O/c1-17(2)16-18-8-14-24(15-9-18)22(25)21-6-4-19(5-7-21)20-10-12-23(3)13-11-20/h17-21H,4-16H2,1-3H3
InChIKeyBWYAAWXRJYTNLX-UHFFFAOYSA-N
XLogP4.42
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 ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [4-(1-methylpiperidin-4-yl)cyclohexyl]-[4-(2-methylpropyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 167480597
(1-methylpiperidin-4-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 165146139
[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 109146216
1-methyl-4-(2-methylpropyl)azepane
CID 123252209
(3-aminocyclopentyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone
CID 119781901
(4-methylpiperidin-1-yl)-[4-(2-methylpropyl)piperidin-1-yl]methanone
CID 167480595
[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-pyrrolidin-1-ylmethanone
CID 109145589
3-methylbutan-2-ol;(1-methylpiperidin-4-yl)-[4-[2-(propan-2-ylamino)ethyl]piperidin-1-yl]methanone
CID 172604152
[4-(2-methylbutyl)cyclohexyl]-pyrrolidin-1-ylmethanone
CID 6422642
2-(dimethylamino)-1-[4-(2-methylpropyl)piperidin-1-yl]ethanone
CID 59001118
[4-(aminomethyl)piperidin-1-yl]-(4-methylcyclohexyl)methanone
CID 81468169
(2R)-1-(1-methylpiperidin-4-yl)propan-2-ol
CID 130820619

Frequently Asked Questions

What is the IUPAC name of [4-(1-methylpiperidin-4-yl)cyclohexyl]-[4-(2-methylpropyl)piperidin-1-yl]methanone?
The IUPAC name of [4-(1-methylpiperidin-4-yl)cyclohexyl]-[4-(2-methylpropyl)piperidin-1-yl]methanone (CID 167480031) is [4-(1-methylpiperidin-4-yl)cyclohexyl]-[4-(2-methylpropyl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-(1-methylpiperidin-4-yl)cyclohexyl]-[4-(2-methylpropyl)piperidin-1-yl]methanone?
The canonical SMILES for [4-(1-methylpiperidin-4-yl)cyclohexyl]-[4-(2-methylpropyl)piperidin-1-yl]methanone is CC(C)CC1CCN(C(=O)C2CCC(C3CCN(C)CC3)CC2)CC1.
What is the InChIKey of [4-(1-methylpiperidin-4-yl)cyclohexyl]-[4-(2-methylpropyl)piperidin-1-yl]methanone?
The InChIKey is BWYAAWXRJYTNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2O/c1-17(2)16-18-8-14-24(15-9-18)22(25)21-6-4-19(5-7-21)20-10-12-23(3)13-11-20/h17-21H,4-16H2,1-3H3.
What are the key properties of [4-(1-methylpiperidin-4-yl)cyclohexyl]-[4-(2-methylpropyl)piperidin-1-yl]methanone?
[4-(1-methylpiperidin-4-yl)cyclohexyl]-[4-(2-methylpropyl)piperidin-1-yl]methanone has a molecular weight of 348.58 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methylpiperidin-4-yl)cyclohexyl]-[4-(2-methylpropyl)piperidin-1-yl]methanone is sourced from PubChem (CID 167480031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).