N-cyclopropyl-1-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]piperidine-3-carboxamide

C20H24N4O3 — CID 49352294

IUPACN-cyclopropyl-1-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]piperidine-3-carboxamide
SMILESCn1nc(CC(=O)N2CCCC(C(=O)NC3CC3)C2)c2ccccc2c1=O
InChIInChI=1S/C20H24N4O3/c1-23-20(27)16-7-3-2-6-15(16)17(22-23)11-18(25)24-10-4-5-13(12-24)19(26)21-14-8-9-14/h2-3,6-7,13-14H,4-5,8-12H2,1H3,(H,21,26)
InChIKeyFLIMALQWAZJOSD-UHFFFAOYSA-N
MW368.44 g/mol
LogP0.99
Rot. Bonds4

About N-cyclopropyl-1-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]piperidine-3-carboxamide

N-cyclopropyl-1-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]piperidine-3-carboxamide (PubChem CID 49352294) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-cyclopropyl-1-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]piperidine-3-carboxamide
PubChem CID49352294
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-cyclopropyl-1-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]piperidine-3-carboxamide
SMILESCn1nc(CC(=O)N2CCCC(C(=O)NC3CC3)C2)c2ccccc2c1=O
InChIInChI=1S/C20H24N4O3/c1-23-20(27)16-7-3-2-6-15(16)17(22-23)11-18(25)24-10-4-5-13(12-24)19(26)21-14-8-9-14/h2-3,6-7,13-14H,4-5,8-12H2,1H3,(H,21,26)
InChIKeyFLIMALQWAZJOSD-UHFFFAOYSA-N
XLogP0.99
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 125149122
2-methyl-4-[2-oxo-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethyl]phthalazin-1-one
CID 55379468
4-[2-(3-ethoxypiperidin-1-yl)-2-oxoethyl]-2-methylphthalazin-1-one
CID 47736317
(3S)-1-[2-(1-methylindazol-3-yl)acetyl]piperidine-3-carboxylic acid
CID 122107141
2-methyl-4-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]phthalazin-1-one
CID 119577518
N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 124812329
4-fluoro-N-[1-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]piperidin-4-yl]benzenesulfonamide
CID 38814186
1-[2-(3-bromo-2-methylindol-1-yl)acetyl]-N-cyclopropylpiperidine-3-carboxamide
CID 49403554
1-(2-phenylacetyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide
CID 119454204
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 17498127
2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-methylpiperazin-1-yl)acetamide
CID 9205666
(3R)-N-(1-benzoylpiperidin-4-yl)-1-propanoylpiperidine-3-carboxamide
CID 52523476

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]piperidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]piperidine-3-carboxamide (CID 49352294) is N-cyclopropyl-1-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]piperidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]piperidine-3-carboxamide is Cn1nc(CC(=O)N2CCCC(C(=O)NC3CC3)C2)c2ccccc2c1=O.
What is the InChIKey of N-cyclopropyl-1-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]piperidine-3-carboxamide?
The InChIKey is FLIMALQWAZJOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-23-20(27)16-7-3-2-6-15(16)17(22-23)11-18(25)24-10-4-5-13(12-24)19(26)21-14-8-9-14/h2-3,6-7,13-14H,4-5,8-12H2,1H3,(H,21,26).
What are the key properties of N-cyclopropyl-1-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]piperidine-3-carboxamide?
N-cyclopropyl-1-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]piperidine-3-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 49352294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).