N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-4-propan-2-ylbenzamide

C22H30N4O3 — CID 91924080

IUPACN-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-4-propan-2-ylbenzamide
SMILESCOCCn1ncc(N2CCC(NC(=O)c3ccc(C(C)C)cc3)CC2)cc1=O
InChIInChI=1S/C22H30N4O3/c1-16(2)17-4-6-18(7-5-17)22(28)24-19-8-10-25(11-9-19)20-14-21(27)26(23-15-20)12-13-29-3/h4-7,14-16,19H,8-13H2,1-3H3,(H,24,28)
InChIKeyKRRRHXPNYQTWSD-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.41
Rot. Bonds7

About N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-4-propan-2-ylbenzamide

N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-4-propan-2-ylbenzamide (PubChem CID 91924080) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-4-propan-2-ylbenzamide
PubChem CID91924080
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC NameN-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-4-propan-2-ylbenzamide
SMILESCOCCn1ncc(N2CCC(NC(=O)c3ccc(C(C)C)cc3)CC2)cc1=O
InChIInChI=1S/C22H30N4O3/c1-16(2)17-4-6-18(7-5-17)22(28)24-19-8-10-25(11-9-19)20-14-21(27)26(23-15-20)12-13-29-3/h4-7,14-16,19H,8-13H2,1-3H3,(H,24,28)
InChIKeyKRRRHXPNYQTWSD-UHFFFAOYSA-N
XLogP2.41
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-methoxyethyl)-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-4-propan-2-ylbenzamide
CID 163446789
4-methoxy-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]benzamide
CID 91924018
N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-fluoro-4-methoxybenzamide
CID 91911783
N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3-methoxybenzamide
CID 91911835
3-fluoro-4-methoxy-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]benzamide
CID 91911758
N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-4-methoxy-2-methylbenzamide
CID 91924053
N-cyclopropyl-2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide
CID 91917506
4-propan-2-yl-N-[4-[(4-propan-2-ylbenzoyl)amino]cyclohexyl]benzamide
CID 1001424
N-[1-(1-benzyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-methylpropanamide
CID 91911804
N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-methoxybenzamide
CID 91924069
N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 91924029
N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2,6-dimethoxypyridine-3-carboxamide
CID 91911769

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-4-propan-2-ylbenzamide?
The IUPAC name of N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-4-propan-2-ylbenzamide (CID 91924080) is N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-4-propan-2-ylbenzamide?
The canonical SMILES for N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-4-propan-2-ylbenzamide is COCCn1ncc(N2CCC(NC(=O)c3ccc(C(C)C)cc3)CC2)cc1=O.
What is the InChIKey of N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-4-propan-2-ylbenzamide?
The InChIKey is KRRRHXPNYQTWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-16(2)17-4-6-18(7-5-17)22(28)24-19-8-10-25(11-9-19)20-14-21(27)26(23-15-20)12-13-29-3/h4-7,14-16,19H,8-13H2,1-3H3,(H,24,28).
What are the key properties of N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-4-propan-2-ylbenzamide?
N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-4-propan-2-ylbenzamide has a molecular weight of 398.51 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-4-propan-2-ylbenzamide is sourced from PubChem (CID 91924080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).