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

C22H28N4O2 — CID 91907138

IUPACN-benzyl-2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide
SMILESO=C(CC1CCCN(c2cnn(CC3CC3)c(=O)c2)C1)NCc1ccccc1
InChIInChI=1S/C22H28N4O2/c27-21(23-13-17-5-2-1-3-6-17)11-19-7-4-10-25(15-19)20-12-22(28)26(24-14-20)16-18-8-9-18/h1-3,5-6,12,14,18-19H,4,7-11,13,15-16H2,(H,23,27)
InChIKeyFQOOHGPXNFFWBK-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.58
Rot. Bonds7

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

N-benzyl-2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide (PubChem CID 91907138) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-benzyl-2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide
PubChem CID91907138
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-benzyl-2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide
SMILESO=C(CC1CCCN(c2cnn(CC3CC3)c(=O)c2)C1)NCc1ccccc1
InChIInChI=1S/C22H28N4O2/c27-21(23-13-17-5-2-1-3-6-17)11-19-7-4-10-25(15-19)20-12-22(28)26(24-14-20)16-18-8-9-18/h1-3,5-6,12,14,18-19H,4,7-11,13,15-16H2,(H,23,27)
InChIKeyFQOOHGPXNFFWBK-UHFFFAOYSA-N
XLogP2.58
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide?
The IUPAC name of N-benzyl-2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide (CID 91907138) is N-benzyl-2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide?
The canonical SMILES for N-benzyl-2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide is O=C(CC1CCCN(c2cnn(CC3CC3)c(=O)c2)C1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide?
The InChIKey is FQOOHGPXNFFWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c27-21(23-13-17-5-2-1-3-6-17)11-19-7-4-10-25(15-19)20-12-22(28)26(24-14-20)16-18-8-9-18/h1-3,5-6,12,14,18-19H,4,7-11,13,15-16H2,(H,23,27).
What are the key properties of N-benzyl-2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide?
N-benzyl-2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide has a molecular weight of 380.49 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide is sourced from PubChem (CID 91907138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).