N-cyclohexyl-4-[2-(3-methylbutylcarbamoylamino)ethyl]piperidine-1-carboxamide

C20H38N4O2 — CID 46381832

IUPACN-cyclohexyl-4-[2-(3-methylbutylcarbamoylamino)ethyl]piperidine-1-carboxamide
SMILESCC(C)CCNC(=O)NCCC1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C20H38N4O2/c1-16(2)8-12-21-19(25)22-13-9-17-10-14-24(15-11-17)20(26)23-18-6-4-3-5-7-18/h16-18H,3-15H2,1-2H3,(H,23,26)(H2,21,22,25)
InChIKeyACRLKRGTFXKRND-UHFFFAOYSA-N
MW366.55 g/mol
LogP3.48
Rot. Bonds7

About N-cyclohexyl-4-[2-(3-methylbutylcarbamoylamino)ethyl]piperidine-1-carboxamide

N-cyclohexyl-4-[2-(3-methylbutylcarbamoylamino)ethyl]piperidine-1-carboxamide (PubChem CID 46381832) has the molecular formula C20H38N4O2 and a molecular weight of 366.55 g/mol. Its IUPAC name is N-cyclohexyl-4-[2-(3-methylbutylcarbamoylamino)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[2-(3-methylbutylcarbamoylamino)ethyl]piperidine-1-carboxamide
PubChem CID46381832
Molecular FormulaC20H38N4O2
Molecular Weight366.55 g/mol
Exact Mass366.30
IUPAC NameN-cyclohexyl-4-[2-(3-methylbutylcarbamoylamino)ethyl]piperidine-1-carboxamide
SMILESCC(C)CCNC(=O)NCCC1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C20H38N4O2/c1-16(2)8-12-21-19(25)22-13-9-17-10-14-24(15-11-17)20(26)23-18-6-4-3-5-7-18/h16-18H,3-15H2,1-2H3,(H,23,26)(H2,21,22,25)
InChIKeyACRLKRGTFXKRND-UHFFFAOYSA-N
XLogP3.48
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[2-(3-methylbutylcarbamoylamino)ethyl]piperidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[2-(3-methylbutylcarbamoylamino)ethyl]piperidine-1-carboxamide (CID 46381832) is N-cyclohexyl-4-[2-(3-methylbutylcarbamoylamino)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[2-(3-methylbutylcarbamoylamino)ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[2-(3-methylbutylcarbamoylamino)ethyl]piperidine-1-carboxamide is CC(C)CCNC(=O)NCCC1CCN(C(=O)NC2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-4-[2-(3-methylbutylcarbamoylamino)ethyl]piperidine-1-carboxamide?
The InChIKey is ACRLKRGTFXKRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O2/c1-16(2)8-12-21-19(25)22-13-9-17-10-14-24(15-11-17)20(26)23-18-6-4-3-5-7-18/h16-18H,3-15H2,1-2H3,(H,23,26)(H2,21,22,25).
What are the key properties of N-cyclohexyl-4-[2-(3-methylbutylcarbamoylamino)ethyl]piperidine-1-carboxamide?
N-cyclohexyl-4-[2-(3-methylbutylcarbamoylamino)ethyl]piperidine-1-carboxamide has a molecular weight of 366.55 g/mol, XLogP of 3.48, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[2-(3-methylbutylcarbamoylamino)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 46381832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).