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

C18H33N3O2 — CID 46381862

IUPACN-cyclohexyl-4-[2-(2-methylpropanoylamino)ethyl]piperidine-1-carboxamide
SMILESCC(C)C(=O)NCCC1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C18H33N3O2/c1-14(2)17(22)19-11-8-15-9-12-21(13-10-15)18(23)20-16-6-4-3-5-7-16/h14-16H,3-13H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyWBEYVUGZWCTQDN-UHFFFAOYSA-N
MW323.48 g/mol
LogP2.90
Rot. Bonds5

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

N-cyclohexyl-4-[2-(2-methylpropanoylamino)ethyl]piperidine-1-carboxamide (PubChem CID 46381862) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is N-cyclohexyl-4-[2-(2-methylpropanoylamino)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[2-(2-methylpropanoylamino)ethyl]piperidine-1-carboxamide
PubChem CID46381862
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC NameN-cyclohexyl-4-[2-(2-methylpropanoylamino)ethyl]piperidine-1-carboxamide
SMILESCC(C)C(=O)NCCC1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C18H33N3O2/c1-14(2)17(22)19-11-8-15-9-12-21(13-10-15)18(23)20-16-6-4-3-5-7-16/h14-16H,3-13H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyWBEYVUGZWCTQDN-UHFFFAOYSA-N
XLogP2.90
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[2-(2-methylpropanoylamino)ethyl]piperidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[2-(2-methylpropanoylamino)ethyl]piperidine-1-carboxamide (CID 46381862) is N-cyclohexyl-4-[2-(2-methylpropanoylamino)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[2-(2-methylpropanoylamino)ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[2-(2-methylpropanoylamino)ethyl]piperidine-1-carboxamide is CC(C)C(=O)NCCC1CCN(C(=O)NC2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-4-[2-(2-methylpropanoylamino)ethyl]piperidine-1-carboxamide?
The InChIKey is WBEYVUGZWCTQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-14(2)17(22)19-11-8-15-9-12-21(13-10-15)18(23)20-16-6-4-3-5-7-16/h14-16H,3-13H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-cyclohexyl-4-[2-(2-methylpropanoylamino)ethyl]piperidine-1-carboxamide?
N-cyclohexyl-4-[2-(2-methylpropanoylamino)ethyl]piperidine-1-carboxamide has a molecular weight of 323.48 g/mol, XLogP of 2.90, 5 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-methylpropanoylamino)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 46381862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).