N-[(4-chlorophenyl)methyl]-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide

C18H21ClN4O2 — CID 91906995

IUPACN-[(4-chlorophenyl)methyl]-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide
SMILESO=C(CC1CCCN(c2cn[nH]c(=O)c2)C1)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN4O2/c19-15-5-3-13(4-6-15)10-20-17(24)8-14-2-1-7-23(12-14)16-9-18(25)22-21-11-16/h3-6,9,11,14H,1-2,7-8,10,12H2,(H,20,24)(H,22,25)
InChIKeyTUVUQSRTPBIMFJ-UHFFFAOYSA-N
MW360.85 g/mol
LogP2.35
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide

N-[(4-chlorophenyl)methyl]-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide (PubChem CID 91906995) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide
PubChem CID91906995
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide
SMILESO=C(CC1CCCN(c2cn[nH]c(=O)c2)C1)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN4O2/c19-15-5-3-13(4-6-15)10-20-17(24)8-14-2-1-7-23(12-14)16-9-18(25)22-21-11-16/h3-6,9,11,14H,1-2,7-8,10,12H2,(H,20,24)(H,22,25)
InChIKeyTUVUQSRTPBIMFJ-UHFFFAOYSA-N
XLogP2.35
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chlorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 53203871
4-[3-(2-hydroxyethyl)piperidin-1-yl]-1H-pyridazin-6-one
CID 107229402
(3R)-N-[[4-(diethylamino)phenyl]methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 95115454
N-[(3-fluorophenyl)methyl]-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide
CID 91917412
(3R)-N-[(2-chlorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 95115412
(3S)-N-[(2-chlorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 95115413
N-cyclopropyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 53203801
(3R)-N-(1-benzylpiperidin-4-yl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 95115278
N-(2-methoxyethyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 53203819
2-[3-(2-aminoethyl)piperidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride
CID 120728492
(3R)-N-[(4-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide
CID 92882098
ethyl 1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxylate
CID 91654996

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide (CID 91906995) is N-[(4-chlorophenyl)methyl]-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide is O=C(CC1CCCN(c2cn[nH]c(=O)c2)C1)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide?
The InChIKey is TUVUQSRTPBIMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c19-15-5-3-13(4-6-15)10-20-17(24)8-14-2-1-7-23(12-14)16-9-18(25)22-21-11-16/h3-6,9,11,14H,1-2,7-8,10,12H2,(H,20,24)(H,22,25).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide?
N-[(4-chlorophenyl)methyl]-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide has a molecular weight of 360.85 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide is sourced from PubChem (CID 91906995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).