N-[4-(4-pyridazin-3-yloxypiperidine-1-carbonyl)phenyl]acetamide

C18H20N4O3 — CID 71799336

IUPACN-[4-(4-pyridazin-3-yloxypiperidine-1-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCC(Oc3cccnn3)CC2)cc1
InChIInChI=1S/C18H20N4O3/c1-13(23)20-15-6-4-14(5-7-15)18(24)22-11-8-16(9-12-22)25-17-3-2-10-19-21-17/h2-7,10,16H,8-9,11-12H2,1H3,(H,20,23)
InChIKeyMIOFBEFNNMWZAW-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.12
Rot. Bonds4

About N-[4-(4-pyridazin-3-yloxypiperidine-1-carbonyl)phenyl]acetamide

N-[4-(4-pyridazin-3-yloxypiperidine-1-carbonyl)phenyl]acetamide (PubChem CID 71799336) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[4-(4-pyridazin-3-yloxypiperidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-pyridazin-3-yloxypiperidine-1-carbonyl)phenyl]acetamide
PubChem CID71799336
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-[4-(4-pyridazin-3-yloxypiperidine-1-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCC(Oc3cccnn3)CC2)cc1
InChIInChI=1S/C18H20N4O3/c1-13(23)20-15-6-4-14(5-7-15)18(24)22-11-8-16(9-12-22)25-17-3-2-10-19-21-17/h2-7,10,16H,8-9,11-12H2,1H3,(H,20,23)
InChIKeyMIOFBEFNNMWZAW-UHFFFAOYSA-N
XLogP2.12
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-pyridazin-3-yloxypiperidin-1-yl)-pyridin-4-ylmethanone
CID 90559340
(4-phenylphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 90638273
[3-(dimethylamino)phenyl]-(4-pyridazin-3-yloxypiperidin-1-yl)methanone
CID 90559348
1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638196
N,N-dimethyl-4-(3-pyridazin-3-yloxypyrrolidine-1-carbonyl)benzenesulfonamide
CID 90638303
(4-butoxyphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 90638234
(4-methylphenyl)-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]methanone
CID 100638429
3-pyridazin-3-yloxy-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 90638470
N-(2,6-difluorophenyl)-4-pyridazin-3-yloxypiperidine-1-carboxamide
CID 90559382
[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-phenylmethanone
CID 72717309
(6-ethoxy-3-pyridinyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 90638410
N-propan-2-yl-3-pyridazin-3-yloxypyrrolidine-1-carboxamide
CID 90638477

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-pyridazin-3-yloxypiperidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of N-[4-(4-pyridazin-3-yloxypiperidine-1-carbonyl)phenyl]acetamide (CID 71799336) is N-[4-(4-pyridazin-3-yloxypiperidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(4-pyridazin-3-yloxypiperidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for N-[4-(4-pyridazin-3-yloxypiperidine-1-carbonyl)phenyl]acetamide is CC(=O)Nc1ccc(C(=O)N2CCC(Oc3cccnn3)CC2)cc1.
What is the InChIKey of N-[4-(4-pyridazin-3-yloxypiperidine-1-carbonyl)phenyl]acetamide?
The InChIKey is MIOFBEFNNMWZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-13(23)20-15-6-4-14(5-7-15)18(24)22-11-8-16(9-12-22)25-17-3-2-10-19-21-17/h2-7,10,16H,8-9,11-12H2,1H3,(H,20,23).
What are the key properties of N-[4-(4-pyridazin-3-yloxypiperidine-1-carbonyl)phenyl]acetamide?
N-[4-(4-pyridazin-3-yloxypiperidine-1-carbonyl)phenyl]acetamide has a molecular weight of 340.38 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-pyridazin-3-yloxypiperidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 71799336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).