N-(cyclopropylmethyl)-2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide

C17H26N4O2 — CID 91917475

IUPACN-(cyclopropylmethyl)-2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide
SMILESCCn1ncc(N2CCCC(CC(=O)NCC3CC3)C2)cc1=O
InChIInChI=1S/C17H26N4O2/c1-2-21-17(23)9-15(11-19-21)20-7-3-4-14(12-20)8-16(22)18-10-13-5-6-13/h9,11,13-14H,2-8,10,12H2,1H3,(H,18,22)
InChIKeyBLBTZQOVXPKNNN-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.40
Rot. Bonds6

About N-(cyclopropylmethyl)-2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide

N-(cyclopropylmethyl)-2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide (PubChem CID 91917475) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide
PubChem CID91917475
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-(cyclopropylmethyl)-2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide
SMILESCCn1ncc(N2CCCC(CC(=O)NCC3CC3)C2)cc1=O
InChIInChI=1S/C17H26N4O2/c1-2-21-17(23)9-15(11-19-21)20-7-3-4-14(12-20)8-16(22)18-10-13-5-6-13/h9,11,13-14H,2-8,10,12H2,1H3,(H,18,22)
InChIKeyBLBTZQOVXPKNNN-UHFFFAOYSA-N
XLogP1.40
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide (CID 91917475) is N-(cyclopropylmethyl)-2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide is CCn1ncc(N2CCCC(CC(=O)NCC3CC3)C2)cc1=O.
What is the InChIKey of N-(cyclopropylmethyl)-2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide?
The InChIKey is BLBTZQOVXPKNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-2-21-17(23)9-15(11-19-21)20-7-3-4-14(12-20)8-16(22)18-10-13-5-6-13/h9,11,13-14H,2-8,10,12H2,1H3,(H,18,22).
What are the key properties of N-(cyclopropylmethyl)-2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide?
N-(cyclopropylmethyl)-2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide has a molecular weight of 318.42 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide is sourced from PubChem (CID 91917475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).