N-cyclohexa-1,5-dien-1-yl-N-(1-methylpiperidin-4-yl)propanamide;hydrofluoride

C15H25FN2O — CID 142238057

IUPACN-cyclohexa-1,5-dien-1-yl-N-(1-methylpiperidin-4-yl)propanamide;hydrofluoride
SMILESCCC(=O)N(C1=CCCC=C1)C1CCN(C)CC1.F
InChIInChI=1S/C15H24N2O.FH/c1-3-15(18)17(13-7-5-4-6-8-13)14-9-11-16(2)12-10-14;/h5,7-8,14H,3-4,6,9-12H2,1-2H3;1H
InChIKeyRUVQZKZGPSADPN-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.71
Rot. Bonds3

About N-cyclohexa-1,5-dien-1-yl-N-(1-methylpiperidin-4-yl)propanamide;hydrofluoride

N-cyclohexa-1,5-dien-1-yl-N-(1-methylpiperidin-4-yl)propanamide;hydrofluoride (PubChem CID 142238057) has the molecular formula C15H25FN2O and a molecular weight of 268.38 g/mol. Its IUPAC name is N-cyclohexa-1,5-dien-1-yl-N-(1-methylpiperidin-4-yl)propanamide;hydrofluoride.

Molecular Properties

Compound NameN-cyclohexa-1,5-dien-1-yl-N-(1-methylpiperidin-4-yl)propanamide;hydrofluoride
PubChem CID142238057
Molecular FormulaC15H25FN2O
Molecular Weight268.38 g/mol
Exact Mass268.20
IUPAC NameN-cyclohexa-1,5-dien-1-yl-N-(1-methylpiperidin-4-yl)propanamide;hydrofluoride
SMILESCCC(=O)N(C1=CCCC=C1)C1CCN(C)CC1.F
InChIInChI=1S/C15H24N2O.FH/c1-3-15(18)17(13-7-5-4-6-8-13)14-9-11-16(2)12-10-14;/h5,7-8,14H,3-4,6,9-12H2,1-2H3;1H
InChIKeyRUVQZKZGPSADPN-UHFFFAOYSA-N
XLogP2.71
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,5-dien-1-yl-N-(1-methylpiperidin-4-yl)propanamide;hydrofluoride?
The IUPAC name of N-cyclohexa-1,5-dien-1-yl-N-(1-methylpiperidin-4-yl)propanamide;hydrofluoride (CID 142238057) is N-cyclohexa-1,5-dien-1-yl-N-(1-methylpiperidin-4-yl)propanamide;hydrofluoride.
What is the SMILES notation for N-cyclohexa-1,5-dien-1-yl-N-(1-methylpiperidin-4-yl)propanamide;hydrofluoride?
The canonical SMILES for N-cyclohexa-1,5-dien-1-yl-N-(1-methylpiperidin-4-yl)propanamide;hydrofluoride is CCC(=O)N(C1=CCCC=C1)C1CCN(C)CC1.F.
What is the InChIKey of N-cyclohexa-1,5-dien-1-yl-N-(1-methylpiperidin-4-yl)propanamide;hydrofluoride?
The InChIKey is RUVQZKZGPSADPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O.FH/c1-3-15(18)17(13-7-5-4-6-8-13)14-9-11-16(2)12-10-14;/h5,7-8,14H,3-4,6,9-12H2,1-2H3;1H.
What are the key properties of N-cyclohexa-1,5-dien-1-yl-N-(1-methylpiperidin-4-yl)propanamide;hydrofluoride?
N-cyclohexa-1,5-dien-1-yl-N-(1-methylpiperidin-4-yl)propanamide;hydrofluoride has a molecular weight of 268.38 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,5-dien-1-yl-N-(1-methylpiperidin-4-yl)propanamide;hydrofluoride is sourced from PubChem (CID 142238057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).