4-(aminomethyl)-N-(1-ethylpiperidin-4-yl)-N-methylcyclohexane-1-carboxamide

C16H31N3O — CID 62808188

IUPAC4-(aminomethyl)-N-(1-ethylpiperidin-4-yl)-N-methylcyclohexane-1-carboxamide
SMILESCCN1CCC(N(C)C(=O)C2CCC(CN)CC2)CC1
InChIInChI=1S/C16H31N3O/c1-3-19-10-8-15(9-11-19)18(2)16(20)14-6-4-13(12-17)5-7-14/h13-15H,3-12,17H2,1-2H3
InChIKeyLORQYRUFKHQQOZ-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.69
Rot. Bonds4

About 4-(aminomethyl)-N-(1-ethylpiperidin-4-yl)-N-methylcyclohexane-1-carboxamide

4-(aminomethyl)-N-(1-ethylpiperidin-4-yl)-N-methylcyclohexane-1-carboxamide (PubChem CID 62808188) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(1-ethylpiperidin-4-yl)-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(1-ethylpiperidin-4-yl)-N-methylcyclohexane-1-carboxamide
PubChem CID62808188
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name4-(aminomethyl)-N-(1-ethylpiperidin-4-yl)-N-methylcyclohexane-1-carboxamide
SMILESCCN1CCC(N(C)C(=O)C2CCC(CN)CC2)CC1
InChIInChI=1S/C16H31N3O/c1-3-19-10-8-15(9-11-19)18(2)16(20)14-6-4-13(12-17)5-7-14/h13-15H,3-12,17H2,1-2H3
InChIKeyLORQYRUFKHQQOZ-UHFFFAOYSA-N
XLogP1.69
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(1-ethylpiperidin-4-yl)-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(1-ethylpiperidin-4-yl)-N-methylcyclohexane-1-carboxamide (CID 62808188) is 4-(aminomethyl)-N-(1-ethylpiperidin-4-yl)-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(1-ethylpiperidin-4-yl)-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(1-ethylpiperidin-4-yl)-N-methylcyclohexane-1-carboxamide is CCN1CCC(N(C)C(=O)C2CCC(CN)CC2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(1-ethylpiperidin-4-yl)-N-methylcyclohexane-1-carboxamide?
The InChIKey is LORQYRUFKHQQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-3-19-10-8-15(9-11-19)18(2)16(20)14-6-4-13(12-17)5-7-14/h13-15H,3-12,17H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(1-ethylpiperidin-4-yl)-N-methylcyclohexane-1-carboxamide?
4-(aminomethyl)-N-(1-ethylpiperidin-4-yl)-N-methylcyclohexane-1-carboxamide has a molecular weight of 281.44 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(1-ethylpiperidin-4-yl)-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 62808188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).