4-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]-3H-phthalazine-1-carboxamide

C22H24N4O2 — CID 45178007

IUPAC4-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]-3H-phthalazine-1-carboxamide
SMILESO=C(NC1CCCN(CCc2ccccc2)C1)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C22H24N4O2/c27-21-19-11-5-4-10-18(19)20(24-25-21)22(28)23-17-9-6-13-26(15-17)14-12-16-7-2-1-3-8-16/h1-5,7-8,10-11,17H,6,9,12-15H2,(H,23,28)(H,25,27)
InChIKeyJSJPVVISGLZBOU-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.36
Rot. Bonds5

About 4-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]-3H-phthalazine-1-carboxamide

4-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]-3H-phthalazine-1-carboxamide (PubChem CID 45178007) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]-3H-phthalazine-1-carboxamide
PubChem CID45178007
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name4-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]-3H-phthalazine-1-carboxamide
SMILESO=C(NC1CCCN(CCc2ccccc2)C1)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C22H24N4O2/c27-21-19-11-5-4-10-18(19)20(24-25-21)22(28)23-17-9-6-13-26(15-17)14-12-16-7-2-1-3-8-16/h1-5,7-8,10-11,17H,6,9,12-15H2,(H,23,28)(H,25,27)
InChIKeyJSJPVVISGLZBOU-UHFFFAOYSA-N
XLogP2.36
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-1H-indole-3-carboxamide
CID 42512291
N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide
CID 25460236
1-methyl-6-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]pyridazine-3-carboxamide
CID 45229509
2,4-dioxo-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]-1H-pyrimidine-5-carboxamide
CID 95722570
3,4,5-trimethoxy-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide
CID 45205527
2-amino-6-methyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrimidine-4-carboxamide
CID 42309159
N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 171328429
2-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]chromene-3-carboxamide
CID 45195643
N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide
CID 26403604
N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-2-ylpropanamide
CID 45227413
2-(2-oxopyrrolidin-1-yl)-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]acetamide
CID 25366353
N-[1-(2-phenylethyl)piperidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide
CID 45241321

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]-3H-phthalazine-1-carboxamide?
The IUPAC name of 4-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]-3H-phthalazine-1-carboxamide (CID 45178007) is 4-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]-3H-phthalazine-1-carboxamide.
What is the SMILES notation for 4-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]-3H-phthalazine-1-carboxamide?
The canonical SMILES for 4-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]-3H-phthalazine-1-carboxamide is O=C(NC1CCCN(CCc2ccccc2)C1)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of 4-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]-3H-phthalazine-1-carboxamide?
The InChIKey is JSJPVVISGLZBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c27-21-19-11-5-4-10-18(19)20(24-25-21)22(28)23-17-9-6-13-26(15-17)14-12-16-7-2-1-3-8-16/h1-5,7-8,10-11,17H,6,9,12-15H2,(H,23,28)(H,25,27).
What are the key properties of 4-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]-3H-phthalazine-1-carboxamide?
4-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]-3H-phthalazine-1-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 45178007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).