N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide

C20H23ClN4O4 — CID 108555027

IUPACN-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NC1CCN(C(=O)CCCOc2ccccc2Cl)CC1)c1ccc(=O)[nH]n1
InChIInChI=1S/C20H23ClN4O4/c21-15-4-1-2-5-17(15)29-13-3-6-19(27)25-11-9-14(10-12-25)22-20(28)16-7-8-18(26)24-23-16/h1-2,4-5,7-8,14H,3,6,9-13H2,(H,22,28)(H,24,26)
InChIKeyFULHSLQSJWJNCS-UHFFFAOYSA-N
MW418.88 g/mol
LogP2.00
Rot. Bonds7

About N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide

N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 108555027) has the molecular formula C20H23ClN4O4 and a molecular weight of 418.88 g/mol. Its IUPAC name is N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID108555027
Molecular FormulaC20H23ClN4O4
Molecular Weight418.88 g/mol
Exact Mass418.14
IUPAC NameN-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NC1CCN(C(=O)CCCOc2ccccc2Cl)CC1)c1ccc(=O)[nH]n1
InChIInChI=1S/C20H23ClN4O4/c21-15-4-1-2-5-17(15)29-13-3-6-19(27)25-11-9-14(10-12-25)22-20(28)16-7-8-18(26)24-23-16/h1-2,4-5,7-8,14H,3,6,9-13H2,(H,22,28)(H,24,26)
InChIKeyFULHSLQSJWJNCS-UHFFFAOYSA-N
XLogP2.00
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]pyridine-2-carboxamide
CID 49488608
3-[4-[4-(2-chlorophenoxy)butanoyl]piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 108536272
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]pyrazine-2-carboxamide
CID 108557401
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-2-sulfanylbenzamide
CID 108554712
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]butanamide
CID 108565449
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-4-propan-2-ylbenzamide
CID 108565468
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-2-ethylbutanamide
CID 108555612
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-3-phenylpropanamide
CID 108555450
4-(2-chlorophenoxy)-N-(1-propanoylpiperidin-4-yl)butanamide
CID 108553694
N-[1-(2-cyanoacetyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108554971
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108555048
4-(2-chlorophenoxy)-1-[4-(3-methoxypropanoyl)piperazin-1-yl]butan-1-one
CID 108536281

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide (CID 108555027) is N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide is O=C(NC1CCN(C(=O)CCCOc2ccccc2Cl)CC1)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is FULHSLQSJWJNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O4/c21-15-4-1-2-5-17(15)29-13-3-6-19(27)25-11-9-14(10-12-25)22-20(28)16-7-8-18(26)24-23-16/h1-2,4-5,7-8,14H,3,6,9-13H2,(H,22,28)(H,24,26).
What are the key properties of N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 418.88 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 108555027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).