N-cyclohepta-1,3,5-trien-1-yl-2-methyl-N-(piperidin-3-ylmethyl)propanamide

C17H26N2O — CID 142030446

IUPACN-cyclohepta-1,3,5-trien-1-yl-2-methyl-N-(piperidin-3-ylmethyl)propanamide
SMILESCC(C)C(=O)N(CC1CCCNC1)C1=CC=CC=CC1
InChIInChI=1S/C17H26N2O/c1-14(2)17(20)19(13-15-8-7-11-18-12-15)16-9-5-3-4-6-10-16/h3-6,9,14-15,18H,7-8,10-13H2,1-2H3
InChIKeyFDPAPYSZORCVHC-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.87
Rot. Bonds4

About N-cyclohepta-1,3,5-trien-1-yl-2-methyl-N-(piperidin-3-ylmethyl)propanamide

N-cyclohepta-1,3,5-trien-1-yl-2-methyl-N-(piperidin-3-ylmethyl)propanamide (PubChem CID 142030446) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-cyclohepta-1,3,5-trien-1-yl-2-methyl-N-(piperidin-3-ylmethyl)propanamide.

Molecular Properties

Compound NameN-cyclohepta-1,3,5-trien-1-yl-2-methyl-N-(piperidin-3-ylmethyl)propanamide
PubChem CID142030446
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-cyclohepta-1,3,5-trien-1-yl-2-methyl-N-(piperidin-3-ylmethyl)propanamide
SMILESCC(C)C(=O)N(CC1CCCNC1)C1=CC=CC=CC1
InChIInChI=1S/C17H26N2O/c1-14(2)17(20)19(13-15-8-7-11-18-12-15)16-9-5-3-4-6-10-16/h3-6,9,14-15,18H,7-8,10-13H2,1-2H3
InChIKeyFDPAPYSZORCVHC-UHFFFAOYSA-N
XLogP2.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohepta-1,3,5-trien-1-yl-2-methyl-N-(piperidin-3-ylmethyl)propanamide?
The IUPAC name of N-cyclohepta-1,3,5-trien-1-yl-2-methyl-N-(piperidin-3-ylmethyl)propanamide (CID 142030446) is N-cyclohepta-1,3,5-trien-1-yl-2-methyl-N-(piperidin-3-ylmethyl)propanamide.
What is the SMILES notation for N-cyclohepta-1,3,5-trien-1-yl-2-methyl-N-(piperidin-3-ylmethyl)propanamide?
The canonical SMILES for N-cyclohepta-1,3,5-trien-1-yl-2-methyl-N-(piperidin-3-ylmethyl)propanamide is CC(C)C(=O)N(CC1CCCNC1)C1=CC=CC=CC1.
What is the InChIKey of N-cyclohepta-1,3,5-trien-1-yl-2-methyl-N-(piperidin-3-ylmethyl)propanamide?
The InChIKey is FDPAPYSZORCVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14(2)17(20)19(13-15-8-7-11-18-12-15)16-9-5-3-4-6-10-16/h3-6,9,14-15,18H,7-8,10-13H2,1-2H3.
What are the key properties of N-cyclohepta-1,3,5-trien-1-yl-2-methyl-N-(piperidin-3-ylmethyl)propanamide?
N-cyclohepta-1,3,5-trien-1-yl-2-methyl-N-(piperidin-3-ylmethyl)propanamide has a molecular weight of 274.41 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohepta-1,3,5-trien-1-yl-2-methyl-N-(piperidin-3-ylmethyl)propanamide is sourced from PubChem (CID 142030446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).