N-cyclohepta-1,4,6-trien-1-yl-N-(piperidin-3-ylmethyl)propanamide

C16H24N2O — CID 142030404

IUPACN-cyclohepta-1,4,6-trien-1-yl-N-(piperidin-3-ylmethyl)propanamide
SMILESCCC(=O)N(CC1CCCNC1)C1=CCC=CC=C1
InChIInChI=1S/C16H24N2O/c1-2-16(19)18(13-14-8-7-11-17-12-14)15-9-5-3-4-6-10-15/h3-5,9-10,14,17H,2,6-8,11-13H2,1H3
InChIKeyCSCXDIRNHDKXPL-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.62
Rot. Bonds4

About N-cyclohepta-1,4,6-trien-1-yl-N-(piperidin-3-ylmethyl)propanamide

N-cyclohepta-1,4,6-trien-1-yl-N-(piperidin-3-ylmethyl)propanamide (PubChem CID 142030404) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-cyclohepta-1,4,6-trien-1-yl-N-(piperidin-3-ylmethyl)propanamide.

Molecular Properties

Compound NameN-cyclohepta-1,4,6-trien-1-yl-N-(piperidin-3-ylmethyl)propanamide
PubChem CID142030404
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-cyclohepta-1,4,6-trien-1-yl-N-(piperidin-3-ylmethyl)propanamide
SMILESCCC(=O)N(CC1CCCNC1)C1=CCC=CC=C1
InChIInChI=1S/C16H24N2O/c1-2-16(19)18(13-14-8-7-11-17-12-14)15-9-5-3-4-6-10-15/h3-5,9-10,14,17H,2,6-8,11-13H2,1H3
InChIKeyCSCXDIRNHDKXPL-UHFFFAOYSA-N
XLogP2.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohepta-1,4,6-trien-1-yl-N-(piperidin-3-ylmethyl)propanamide?
The IUPAC name of N-cyclohepta-1,4,6-trien-1-yl-N-(piperidin-3-ylmethyl)propanamide (CID 142030404) is N-cyclohepta-1,4,6-trien-1-yl-N-(piperidin-3-ylmethyl)propanamide.
What is the SMILES notation for N-cyclohepta-1,4,6-trien-1-yl-N-(piperidin-3-ylmethyl)propanamide?
The canonical SMILES for N-cyclohepta-1,4,6-trien-1-yl-N-(piperidin-3-ylmethyl)propanamide is CCC(=O)N(CC1CCCNC1)C1=CCC=CC=C1.
What is the InChIKey of N-cyclohepta-1,4,6-trien-1-yl-N-(piperidin-3-ylmethyl)propanamide?
The InChIKey is CSCXDIRNHDKXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-16(19)18(13-14-8-7-11-17-12-14)15-9-5-3-4-6-10-15/h3-5,9-10,14,17H,2,6-8,11-13H2,1H3.
What are the key properties of N-cyclohepta-1,4,6-trien-1-yl-N-(piperidin-3-ylmethyl)propanamide?
N-cyclohepta-1,4,6-trien-1-yl-N-(piperidin-3-ylmethyl)propanamide has a molecular weight of 260.38 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohepta-1,4,6-trien-1-yl-N-(piperidin-3-ylmethyl)propanamide is sourced from PubChem (CID 142030404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).