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

C18H26N4O2 — CID 91917542

IUPACN-cyclopropyl-2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide
SMILESO=C(CC1CCCN(c2cnn(CC3CC3)c(=O)c2)C1)NC1CC1
InChIInChI=1S/C18H26N4O2/c23-17(20-15-5-6-15)8-14-2-1-7-21(11-14)16-9-18(24)22(19-10-16)12-13-3-4-13/h9-10,13-15H,1-8,11-12H2,(H,20,23)
InChIKeyLLRLHAVNJCWRAV-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.54
Rot. Bonds6

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

N-cyclopropyl-2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide (PubChem CID 91917542) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-cyclopropyl-2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide
PubChem CID91917542
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-cyclopropyl-2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide
SMILESO=C(CC1CCCN(c2cnn(CC3CC3)c(=O)c2)C1)NC1CC1
InChIInChI=1S/C18H26N4O2/c23-17(20-15-5-6-15)8-14-2-1-7-21(11-14)16-9-18(24)22(19-10-16)12-13-3-4-13/h9-10,13-15H,1-8,11-12H2,(H,20,23)
InChIKeyLLRLHAVNJCWRAV-UHFFFAOYSA-N
XLogP1.54
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-2-cyclohexyl-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}acetamide
CID 70773681
3-Cyclohexyl-N-[1-(6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]propanamide
CID 91911737
"3-cyclopentyl-N-[1-(6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidyl]propanamide"
CID 91911745
2-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-3-YL]-N-(pentan-3-YL)acetamide
CID 91907045
4-[3-[2-(azepan-1-yl)-2-oxoethyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 91917369
N-(3-methylbutyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 53202012
1-(6-oxo-1H-pyridazin-4-yl)-N-pentan-3-ylpiperidine-4-carboxamide
CID 53202016
N-cyclopentyl-1-(6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinecarboxamide
CID 53202029
N-(2-methylpropyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 53202052
N-cyclohexyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 53202065
N-(3-methylbutyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
CID 53202079
N-cyclopropyl-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
CID 53202100

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide (CID 91917542) is N-cyclopropyl-2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide is O=C(CC1CCCN(c2cnn(CC3CC3)c(=O)c2)C1)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide?
The InChIKey is LLRLHAVNJCWRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c23-17(20-15-5-6-15)8-14-2-1-7-21(11-14)16-9-18(24)22(19-10-16)12-13-3-4-13/h9-10,13-15H,1-8,11-12H2,(H,20,23).
What are the key properties of N-cyclopropyl-2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide?
N-cyclopropyl-2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide has a molecular weight of 330.43 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide is sourced from PubChem (CID 91917542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).