4-[(3R)-3-ethoxypiperidine-1-carbonyl]-2-propylphthalazin-1-one

C19H25N3O3 — CID 95582769

IUPAC4-[(3R)-3-ethoxypiperidine-1-carbonyl]-2-propylphthalazin-1-one
SMILESCCCn1nc(C(=O)N2CCC[C@@H](OCC)C2)c2ccccc2c1=O
InChIInChI=1S/C19H25N3O3/c1-3-11-22-18(23)16-10-6-5-9-15(16)17(20-22)19(24)21-12-7-8-14(13-21)25-4-2/h5-6,9-10,14H,3-4,7-8,11-13H2,1-2H3/t14-/m1/s1
InChIKeyMVNSMLJWUSXFAK-CQSZACIVSA-N
MW343.43 g/mol
LogP2.45
Rot. Bonds5

About 4-[(3R)-3-ethoxypiperidine-1-carbonyl]-2-propylphthalazin-1-one

4-[(3R)-3-ethoxypiperidine-1-carbonyl]-2-propylphthalazin-1-one (PubChem CID 95582769) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-[(3R)-3-ethoxypiperidine-1-carbonyl]-2-propylphthalazin-1-one.

Molecular Properties

Compound Name4-[(3R)-3-ethoxypiperidine-1-carbonyl]-2-propylphthalazin-1-one
PubChem CID95582769
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name4-[(3R)-3-ethoxypiperidine-1-carbonyl]-2-propylphthalazin-1-one
SMILESCCCn1nc(C(=O)N2CCC[C@@H](OCC)C2)c2ccccc2c1=O
InChIInChI=1S/C19H25N3O3/c1-3-11-22-18(23)16-10-6-5-9-15(16)17(20-22)19(24)21-12-7-8-14(13-21)25-4-2/h5-6,9-10,14H,3-4,7-8,11-13H2,1-2H3/t14-/m1/s1
InChIKeyMVNSMLJWUSXFAK-CQSZACIVSA-N
XLogP2.45
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3R)-3-methylpiperidine-1-carbonyl]-2-propylphthalazin-1-one
CID 2108113
4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2-butylphthalazin-1-one
CID 47017728
4-[3-(1-aminoethyl)piperidine-1-carbonyl]-2-pentylphthalazin-1-one
CID 119592753
4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-2-propylphthalazin-1-one
CID 2594981
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-2-propylphthalazin-1-one
CID 26008732
4-[2-(3-ethoxypiperidin-1-yl)-2-oxoethyl]-2-methylphthalazin-1-one
CID 47736317
4-(azetidine-1-carbonyl)-2-ethylphthalazin-1-one
CID 26925219
4-[3-(methylamino)piperidine-1-carbonyl]-2-(2-methylpropyl)phthalazin-1-one
CID 119492763
[(3S)-3-ethoxypiperidin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 95582789
2-ethyl-4-(4-methoxypiperidine-1-carbonyl)phthalazin-1-one
CID 56810543
4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-2-pentylphthalazin-1-one
CID 17420770
2-butyl-4-(4-methylpiperazine-1-carbonyl)phthalazin-1-one
CID 9452362

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-ethoxypiperidine-1-carbonyl]-2-propylphthalazin-1-one?
The IUPAC name of 4-[(3R)-3-ethoxypiperidine-1-carbonyl]-2-propylphthalazin-1-one (CID 95582769) is 4-[(3R)-3-ethoxypiperidine-1-carbonyl]-2-propylphthalazin-1-one.
What is the SMILES notation for 4-[(3R)-3-ethoxypiperidine-1-carbonyl]-2-propylphthalazin-1-one?
The canonical SMILES for 4-[(3R)-3-ethoxypiperidine-1-carbonyl]-2-propylphthalazin-1-one is CCCn1nc(C(=O)N2CCC[C@@H](OCC)C2)c2ccccc2c1=O.
What is the InChIKey of 4-[(3R)-3-ethoxypiperidine-1-carbonyl]-2-propylphthalazin-1-one?
The InChIKey is MVNSMLJWUSXFAK-CQSZACIVSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-3-11-22-18(23)16-10-6-5-9-15(16)17(20-22)19(24)21-12-7-8-14(13-21)25-4-2/h5-6,9-10,14H,3-4,7-8,11-13H2,1-2H3/t14-/m1/s1.
What are the key properties of 4-[(3R)-3-ethoxypiperidine-1-carbonyl]-2-propylphthalazin-1-one?
4-[(3R)-3-ethoxypiperidine-1-carbonyl]-2-propylphthalazin-1-one has a molecular weight of 343.43 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-ethoxypiperidine-1-carbonyl]-2-propylphthalazin-1-one is sourced from PubChem (CID 95582769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).