N-methyl-N-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]-3-piperidin-4-ylpropanamide

C17H23F3N4O2 — CID 171492779

IUPACN-methyl-N-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]-3-piperidin-4-ylpropanamide
SMILESCN(C(=O)CCC1CCNCC1)C1CCc2c1n[nH]c(=O)c2C(F)(F)F
InChIInChI=1S/C17H23F3N4O2/c1-24(13(25)5-2-10-6-8-21-9-7-10)12-4-3-11-14(17(18,19)20)16(26)23-22-15(11)12/h10,12,21H,2-9H2,1H3,(H,23,26)
InChIKeyZDLZVXPFAGQNAO-UHFFFAOYSA-N
MW372.39 g/mol
LogP2.01
Rot. Bonds4

About N-methyl-N-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]-3-piperidin-4-ylpropanamide

N-methyl-N-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]-3-piperidin-4-ylpropanamide (PubChem CID 171492779) has the molecular formula C17H23F3N4O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is N-methyl-N-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]-3-piperidin-4-ylpropanamide.

Molecular Properties

Compound NameN-methyl-N-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]-3-piperidin-4-ylpropanamide
PubChem CID171492779
Molecular FormulaC17H23F3N4O2
Molecular Weight372.39 g/mol
Exact Mass372.18
IUPAC NameN-methyl-N-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]-3-piperidin-4-ylpropanamide
SMILESCN(C(=O)CCC1CCNCC1)C1CCc2c1n[nH]c(=O)c2C(F)(F)F
InChIInChI=1S/C17H23F3N4O2/c1-24(13(25)5-2-10-6-8-21-9-7-10)12-4-3-11-14(17(18,19)20)16(26)23-22-15(11)12/h10,12,21H,2-9H2,1H3,(H,23,26)
InChIKeyZDLZVXPFAGQNAO-UHFFFAOYSA-N
XLogP2.01
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]-3-piperidin-4-ylpropanamide?
The IUPAC name of N-methyl-N-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]-3-piperidin-4-ylpropanamide (CID 171492779) is N-methyl-N-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]-3-piperidin-4-ylpropanamide.
What is the SMILES notation for N-methyl-N-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]-3-piperidin-4-ylpropanamide?
The canonical SMILES for N-methyl-N-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]-3-piperidin-4-ylpropanamide is CN(C(=O)CCC1CCNCC1)C1CCc2c1n[nH]c(=O)c2C(F)(F)F.
What is the InChIKey of N-methyl-N-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]-3-piperidin-4-ylpropanamide?
The InChIKey is ZDLZVXPFAGQNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N4O2/c1-24(13(25)5-2-10-6-8-21-9-7-10)12-4-3-11-14(17(18,19)20)16(26)23-22-15(11)12/h10,12,21H,2-9H2,1H3,(H,23,26).
What are the key properties of N-methyl-N-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]-3-piperidin-4-ylpropanamide?
N-methyl-N-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]-3-piperidin-4-ylpropanamide has a molecular weight of 372.39 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]-3-piperidin-4-ylpropanamide is sourced from PubChem (CID 171492779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).