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

C18H28N4O3 — CID 91917518

IUPACN-(cyclopropylmethyl)-2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide
SMILESCOCCn1ncc(N2CCCC(CC(=O)NCC3CC3)C2)cc1=O
InChIInChI=1S/C18H28N4O3/c1-25-8-7-22-18(24)10-16(12-20-22)21-6-2-3-15(13-21)9-17(23)19-11-14-4-5-14/h10,12,14-15H,2-9,11,13H2,1H3,(H,19,23)
InChIKeyIAXDCCRVZRVQSO-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.02
Rot. Bonds8

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

N-(cyclopropylmethyl)-2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide (PubChem CID 91917518) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide
PubChem CID91917518
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC NameN-(cyclopropylmethyl)-2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide
SMILESCOCCn1ncc(N2CCCC(CC(=O)NCC3CC3)C2)cc1=O
InChIInChI=1S/C18H28N4O3/c1-25-8-7-22-18(24)10-16(12-20-22)21-6-2-3-15(13-21)9-17(23)19-11-14-4-5-14/h10,12,14-15H,2-9,11,13H2,1H3,(H,19,23)
InChIKeyIAXDCCRVZRVQSO-UHFFFAOYSA-N
XLogP1.02
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide (CID 91917518) is N-(cyclopropylmethyl)-2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide is COCCn1ncc(N2CCCC(CC(=O)NCC3CC3)C2)cc1=O.
What is the InChIKey of N-(cyclopropylmethyl)-2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide?
The InChIKey is IAXDCCRVZRVQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-25-8-7-22-18(24)10-16(12-20-22)21-6-2-3-15(13-21)9-17(23)19-11-14-4-5-14/h10,12,14-15H,2-9,11,13H2,1H3,(H,19,23).
What are the key properties of N-(cyclopropylmethyl)-2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide?
N-(cyclopropylmethyl)-2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide has a molecular weight of 348.45 g/mol, XLogP of 1.02, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide is sourced from PubChem (CID 91917518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).