N-cyclohexyl-4-[2-(2-ethylbutanoylamino)ethyl]piperidine-1-carboxamide

C20H37N3O2 — CID 46381881

IUPACN-cyclohexyl-4-[2-(2-ethylbutanoylamino)ethyl]piperidine-1-carboxamide
SMILESCCC(CC)C(=O)NCCC1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C20H37N3O2/c1-3-17(4-2)19(24)21-13-10-16-11-14-23(15-12-16)20(25)22-18-8-6-5-7-9-18/h16-18H,3-15H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyAFODPPNRWGZRFG-UHFFFAOYSA-N
MW351.54 g/mol
LogP3.68
Rot. Bonds7

About N-cyclohexyl-4-[2-(2-ethylbutanoylamino)ethyl]piperidine-1-carboxamide

N-cyclohexyl-4-[2-(2-ethylbutanoylamino)ethyl]piperidine-1-carboxamide (PubChem CID 46381881) has the molecular formula C20H37N3O2 and a molecular weight of 351.54 g/mol. Its IUPAC name is N-cyclohexyl-4-[2-(2-ethylbutanoylamino)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[2-(2-ethylbutanoylamino)ethyl]piperidine-1-carboxamide
PubChem CID46381881
Molecular FormulaC20H37N3O2
Molecular Weight351.54 g/mol
Exact Mass351.29
IUPAC NameN-cyclohexyl-4-[2-(2-ethylbutanoylamino)ethyl]piperidine-1-carboxamide
SMILESCCC(CC)C(=O)NCCC1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C20H37N3O2/c1-3-17(4-2)19(24)21-13-10-16-11-14-23(15-12-16)20(25)22-18-8-6-5-7-9-18/h16-18H,3-15H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyAFODPPNRWGZRFG-UHFFFAOYSA-N
XLogP3.68
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.54
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-Cyclohexyl-3-(1-propionylpiperidin-4-yl)urea
CID 47379736
N~1~-cyclohexyl-1,3-piperidinedicarboxamide
CID 2947158
1-Cycloheptyl-3-[1-(2-methylbutanoyl)piperidin-4-yl]urea
CID 71678007
1-(4-Ethylcyclohexyl)-3-[1-(2-methylbutanoyl)piperidin-4-yl]urea
CID 118712048
1-N-cyclohexyl-3-N-cyclopropylpiperidine-1,3-dicarboxamide
CID 3222855
3-(1-Acetylpiperidin-4-YL)-1-cyclohexylurea
CID 25070135
1-Cyclohexyl-3-[1-(2-methylbutanoyl)piperidin-4-yl]urea
CID 71678006
1-Cyclohexyl-5-ethylbarbituric acid
CID 13276
Piperidine-1,3-dicarboxylic acid 1-cyclohexylamide 3-cyclohexylmethyl-amide
CID 648462
Piperidine-1,3-dicarboxylic acid 3-sec-butylamide 1-cyclohexylamide
CID 3222852
N~4~-isopropyl-N~1~,N~1~-dimethylpiperidine-1,4-dicarboxamide
CID 3235986
N~4~-cyclooctyl-N~1~,N~1~-dimethylpiperidine-1,4-dicarboxamide
CID 3236588

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[2-(2-ethylbutanoylamino)ethyl]piperidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[2-(2-ethylbutanoylamino)ethyl]piperidine-1-carboxamide (CID 46381881) is N-cyclohexyl-4-[2-(2-ethylbutanoylamino)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[2-(2-ethylbutanoylamino)ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[2-(2-ethylbutanoylamino)ethyl]piperidine-1-carboxamide is CCC(CC)C(=O)NCCC1CCN(C(=O)NC2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-4-[2-(2-ethylbutanoylamino)ethyl]piperidine-1-carboxamide?
The InChIKey is AFODPPNRWGZRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3O2/c1-3-17(4-2)19(24)21-13-10-16-11-14-23(15-12-16)20(25)22-18-8-6-5-7-9-18/h16-18H,3-15H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-cyclohexyl-4-[2-(2-ethylbutanoylamino)ethyl]piperidine-1-carboxamide?
N-cyclohexyl-4-[2-(2-ethylbutanoylamino)ethyl]piperidine-1-carboxamide has a molecular weight of 351.54 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[2-(2-ethylbutanoylamino)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 46381881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).