(4-ethylcyclohexyl)-[4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidin-1-yl]methanone

C24H44N2O — CID 167480439

IUPAC(4-ethylcyclohexyl)-[4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidin-1-yl]methanone
SMILESCCC1CCC(C(=O)N2CCC(CCC3CCN(C(C)C)CC3)CC2)CC1
InChIInChI=1S/C24H44N2O/c1-4-20-7-9-23(10-8-20)24(27)26-17-13-22(14-18-26)6-5-21-11-15-25(16-12-21)19(2)3/h19-23H,4-18H2,1-3H3
InChIKeyMBDFFUBKQSRYDE-UHFFFAOYSA-N
MW376.63 g/mol
LogP5.34
Rot. Bonds6

About (4-ethylcyclohexyl)-[4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidin-1-yl]methanone

(4-ethylcyclohexyl)-[4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidin-1-yl]methanone (PubChem CID 167480439) has the molecular formula C24H44N2O and a molecular weight of 376.63 g/mol. Its IUPAC name is (4-ethylcyclohexyl)-[4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethylcyclohexyl)-[4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidin-1-yl]methanone
PubChem CID167480439
Molecular FormulaC24H44N2O
Molecular Weight376.63 g/mol
Exact Mass376.35
IUPAC Name(4-ethylcyclohexyl)-[4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidin-1-yl]methanone
SMILESCCC1CCC(C(=O)N2CCC(CCC3CCN(C(C)C)CC3)CC2)CC1
InChIInChI=1S/C24H44N2O/c1-4-20-7-9-23(10-8-20)24(27)26-17-13-22(14-18-26)6-5-21-11-15-25(16-12-21)19(2)3/h19-23H,4-18H2,1-3H3
InChIKeyMBDFFUBKQSRYDE-UHFFFAOYSA-N
XLogP5.34
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.63
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-ethylcyclohexyl)-[4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

(4-ethylpiperidin-1-yl)-(1-propan-2-ylazetidin-3-yl)methanone
CID 171093987
[4-(aminomethyl)cyclohexyl]-(4-ethylpiperidin-1-yl)methanone
CID 62807473
ethane;1-(4-ethylpiperidin-1-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 176984732
[4-(5-methylhexyl)piperidin-1-yl]-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methanone
CID 171093271
[4-(1-aminoethyl)piperidin-1-yl]-(4-butylcyclohexyl)methanone;hydrochloride
CID 119520046
(4-ethylcyclohexyl)-piperazin-1-ylmethanone
CID 118883051
ethane;(4-ethylcyclohexyl)-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
CID 176683952
cyclopropyl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 121200495
cis-(1S,3R)-3-(4-ethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114091996
cyclopropyl-(4-propylazepan-1-yl)methanone
CID 49008153
cyclopropyl-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]methanone
CID 130296017
4-[4-[3-(4-ethylpiperidin-1-yl)propyl]piperidine-1-carbonyl]cyclohexane-1-carbonyl iodide
CID 176684101

Frequently Asked Questions

What is the IUPAC name of (4-ethylcyclohexyl)-[4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidin-1-yl]methanone?
The IUPAC name of (4-ethylcyclohexyl)-[4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidin-1-yl]methanone (CID 167480439) is (4-ethylcyclohexyl)-[4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-ethylcyclohexyl)-[4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for (4-ethylcyclohexyl)-[4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidin-1-yl]methanone is CCC1CCC(C(=O)N2CCC(CCC3CCN(C(C)C)CC3)CC2)CC1.
What is the InChIKey of (4-ethylcyclohexyl)-[4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidin-1-yl]methanone?
The InChIKey is MBDFFUBKQSRYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N2O/c1-4-20-7-9-23(10-8-20)24(27)26-17-13-22(14-18-26)6-5-21-11-15-25(16-12-21)19(2)3/h19-23H,4-18H2,1-3H3.
What are the key properties of (4-ethylcyclohexyl)-[4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidin-1-yl]methanone?
(4-ethylcyclohexyl)-[4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidin-1-yl]methanone has a molecular weight of 376.63 g/mol, XLogP of 5.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylcyclohexyl)-[4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 167480439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).