4-[1-(1-propylpiperidin-4-yl)ethylamino]cyclohexane-1-carboxamide

C17H33N3O — CID 43748750

IUPAC4-[1-(1-propylpiperidin-4-yl)ethylamino]cyclohexane-1-carboxamide
SMILESCCCN1CCC(C(C)NC2CCC(C(N)=O)CC2)CC1
InChIInChI=1S/C17H33N3O/c1-3-10-20-11-8-14(9-12-20)13(2)19-16-6-4-15(5-7-16)17(18)21/h13-16,19H,3-12H2,1-2H3,(H2,18,21)
InChIKeyXGUWLFRSLSVNIE-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.13
Rot. Bonds6

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

4-[1-(1-propylpiperidin-4-yl)ethylamino]cyclohexane-1-carboxamide (PubChem CID 43748750) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 4-[1-(1-propylpiperidin-4-yl)ethylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[1-(1-propylpiperidin-4-yl)ethylamino]cyclohexane-1-carboxamide
PubChem CID43748750
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name4-[1-(1-propylpiperidin-4-yl)ethylamino]cyclohexane-1-carboxamide
SMILESCCCN1CCC(C(C)NC2CCC(C(N)=O)CC2)CC1
InChIInChI=1S/C17H33N3O/c1-3-10-20-11-8-14(9-12-20)13(2)19-16-6-4-15(5-7-16)17(18)21/h13-16,19H,3-12H2,1-2H3,(H2,18,21)
InChIKeyXGUWLFRSLSVNIE-UHFFFAOYSA-N
XLogP2.13
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-propylpiperidin-4-yl)ethylamino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[1-(1-propylpiperidin-4-yl)ethylamino]cyclohexane-1-carboxamide (CID 43748750) is 4-[1-(1-propylpiperidin-4-yl)ethylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[1-(1-propylpiperidin-4-yl)ethylamino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[1-(1-propylpiperidin-4-yl)ethylamino]cyclohexane-1-carboxamide is CCCN1CCC(C(C)NC2CCC(C(N)=O)CC2)CC1.
What is the InChIKey of 4-[1-(1-propylpiperidin-4-yl)ethylamino]cyclohexane-1-carboxamide?
The InChIKey is XGUWLFRSLSVNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-3-10-20-11-8-14(9-12-20)13(2)19-16-6-4-15(5-7-16)17(18)21/h13-16,19H,3-12H2,1-2H3,(H2,18,21).
What are the key properties of 4-[1-(1-propylpiperidin-4-yl)ethylamino]cyclohexane-1-carboxamide?
4-[1-(1-propylpiperidin-4-yl)ethylamino]cyclohexane-1-carboxamide has a molecular weight of 295.47 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-propylpiperidin-4-yl)ethylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 43748750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).