4-[1-(1-ethylpiperidin-3-yl)ethylamino]cyclohexane-1-carboxamide

C16H31N3O — CID 43748745

IUPAC4-[1-(1-ethylpiperidin-3-yl)ethylamino]cyclohexane-1-carboxamide
SMILESCCN1CCCC(C(C)NC2CCC(C(N)=O)CC2)C1
InChIInChI=1S/C16H31N3O/c1-3-19-10-4-5-14(11-19)12(2)18-15-8-6-13(7-9-15)16(17)20/h12-15,18H,3-11H2,1-2H3,(H2,17,20)
InChIKeyPQMQFHJHSHANTR-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.74
Rot. Bonds5

About 4-[1-(1-ethylpiperidin-3-yl)ethylamino]cyclohexane-1-carboxamide

4-[1-(1-ethylpiperidin-3-yl)ethylamino]cyclohexane-1-carboxamide (PubChem CID 43748745) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 4-[1-(1-ethylpiperidin-3-yl)ethylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[1-(1-ethylpiperidin-3-yl)ethylamino]cyclohexane-1-carboxamide
PubChem CID43748745
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name4-[1-(1-ethylpiperidin-3-yl)ethylamino]cyclohexane-1-carboxamide
SMILESCCN1CCCC(C(C)NC2CCC(C(N)=O)CC2)C1
InChIInChI=1S/C16H31N3O/c1-3-19-10-4-5-14(11-19)12(2)18-15-8-6-13(7-9-15)16(17)20/h12-15,18H,3-11H2,1-2H3,(H2,17,20)
InChIKeyPQMQFHJHSHANTR-UHFFFAOYSA-N
XLogP1.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-ethylpiperidin-3-yl)ethylamino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[1-(1-ethylpiperidin-3-yl)ethylamino]cyclohexane-1-carboxamide (CID 43748745) is 4-[1-(1-ethylpiperidin-3-yl)ethylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[1-(1-ethylpiperidin-3-yl)ethylamino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[1-(1-ethylpiperidin-3-yl)ethylamino]cyclohexane-1-carboxamide is CCN1CCCC(C(C)NC2CCC(C(N)=O)CC2)C1.
What is the InChIKey of 4-[1-(1-ethylpiperidin-3-yl)ethylamino]cyclohexane-1-carboxamide?
The InChIKey is PQMQFHJHSHANTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-3-19-10-4-5-14(11-19)12(2)18-15-8-6-13(7-9-15)16(17)20/h12-15,18H,3-11H2,1-2H3,(H2,17,20).
What are the key properties of 4-[1-(1-ethylpiperidin-3-yl)ethylamino]cyclohexane-1-carboxamide?
4-[1-(1-ethylpiperidin-3-yl)ethylamino]cyclohexane-1-carboxamide has a molecular weight of 281.44 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-ethylpiperidin-3-yl)ethylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 43748745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).