4-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-2H-phthalazin-1-one

C18H19N5O2 — CID 124994289

IUPAC4-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-2H-phthalazin-1-one
SMILESCc1cnc([C@H]2CCCN(C(=O)c3n[nH]c(=O)c4ccccc34)C2)[nH]1
InChIInChI=1S/C18H19N5O2/c1-11-9-19-16(20-11)12-5-4-8-23(10-12)18(25)15-13-6-2-3-7-14(13)17(24)22-21-15/h2-3,6-7,9,12H,4-5,8,10H2,1H3,(H,19,20)(H,22,24)/t12-/m0/s1
InChIKeyQDRHUTRMSVFNDB-LBPRGKRZSA-N
MW337.38 g/mol
LogP1.97
Rot. Bonds2

About 4-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-2H-phthalazin-1-one

4-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-2H-phthalazin-1-one (PubChem CID 124994289) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-2H-phthalazin-1-one
PubChem CID124994289
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name4-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-2H-phthalazin-1-one
SMILESCc1cnc([C@H]2CCCN(C(=O)c3n[nH]c(=O)c4ccccc34)C2)[nH]1
InChIInChI=1S/C18H19N5O2/c1-11-9-19-16(20-11)12-5-4-8-23(10-12)18(25)15-13-6-2-3-7-14(13)17(24)22-21-15/h2-3,6-7,9,12H,4-5,8,10H2,1H3,(H,19,20)(H,22,24)/t12-/m0/s1
InChIKeyQDRHUTRMSVFNDB-LBPRGKRZSA-N
XLogP1.97
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chlorophenyl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 124949617
(3-methyl-1-benzofuran-2-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 124970480
4-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]-2H-phthalazin-1-one
CID 124991722
N-(5-methyl-2-pyridinyl)-1-(4-oxo-3H-phthalazine-1-carbonyl)piperidine-3-carboxamide
CID 154834464
[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-quinolin-2-ylmethanone
CID 124942397
6-methyl-3-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 124992825
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]-2H-phthalazin-1-one
CID 9070716
3-[3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 110104163
4-[4-(4-oxo-3H-phthalazine-1-carbonyl)piperazine-1-carbonyl]-2H-phthalazin-1-one
CID 167744195
1H-indazol-3-yl-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 124998301
4-(3-ethylsulfanylazepane-1-carbonyl)-2H-phthalazin-1-one
CID 166203105
4-[3-[5-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidine-1-carbonyl]-2H-phthalazin-1-one
CID 45240724

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-2H-phthalazin-1-one?
The IUPAC name of 4-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-2H-phthalazin-1-one (CID 124994289) is 4-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-2H-phthalazin-1-one.
What is the SMILES notation for 4-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-2H-phthalazin-1-one?
The canonical SMILES for 4-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-2H-phthalazin-1-one is Cc1cnc([C@H]2CCCN(C(=O)c3n[nH]c(=O)c4ccccc34)C2)[nH]1.
What is the InChIKey of 4-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-2H-phthalazin-1-one?
The InChIKey is QDRHUTRMSVFNDB-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-11-9-19-16(20-11)12-5-4-8-23(10-12)18(25)15-13-6-2-3-7-14(13)17(24)22-21-15/h2-3,6-7,9,12H,4-5,8,10H2,1H3,(H,19,20)(H,22,24)/t12-/m0/s1.
What are the key properties of 4-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-2H-phthalazin-1-one?
4-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-2H-phthalazin-1-one has a molecular weight of 337.38 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-2H-phthalazin-1-one is sourced from PubChem (CID 124994289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).