4-(3,5-dimethylpiperidine-1-carbonyl)-7-methoxychromen-2-one

C18H21NO4 — CID 75796712

IUPAC4-(3,5-dimethylpiperidine-1-carbonyl)-7-methoxychromen-2-one
SMILESCOc1ccc2c(C(=O)N3CC(C)CC(C)C3)cc(=O)oc2c1
InChIInChI=1S/C18H21NO4/c1-11-6-12(2)10-19(9-11)18(21)15-8-17(20)23-16-7-13(22-3)4-5-14(15)16/h4-5,7-8,11-12H,6,9-10H2,1-3H3
InChIKeyDCRRQBPCLLAYOT-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.92
Rot. Bonds2

About 4-(3,5-dimethylpiperidine-1-carbonyl)-7-methoxychromen-2-one

4-(3,5-dimethylpiperidine-1-carbonyl)-7-methoxychromen-2-one (PubChem CID 75796712) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperidine-1-carbonyl)-7-methoxychromen-2-one.

Molecular Properties

Compound Name4-(3,5-dimethylpiperidine-1-carbonyl)-7-methoxychromen-2-one
PubChem CID75796712
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name4-(3,5-dimethylpiperidine-1-carbonyl)-7-methoxychromen-2-one
SMILESCOc1ccc2c(C(=O)N3CC(C)CC(C)C3)cc(=O)oc2c1
InChIInChI=1S/C18H21NO4/c1-11-6-12(2)10-19(9-11)18(21)15-8-17(20)23-16-7-13(22-3)4-5-14(15)16/h4-5,7-8,11-12H,6,9-10H2,1-3H3
InChIKeyDCRRQBPCLLAYOT-UHFFFAOYSA-N
XLogP2.92
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

(3,5-dimethylpiperidin-1-yl)-(2-hydroxy-5-methoxyphenyl)methanone
CID 42940425
(2,4-dimethoxyphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 789243
4-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-7-methoxychromen-2-one
CID 8904752
7-methoxy-4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]chromen-2-one
CID 46563126
1-(2,5-dimethoxybenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119203
(6-methoxy-3-phenyl-1-benzofuran-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 86878769
[(3aS,7aR)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone
CID 70754964
4-[[2-(1-hydroxyethyl)piperidin-1-yl]methyl]-7-methoxychromen-2-one
CID 111106910
4-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]methyl]-7-methoxychromen-2-one
CID 11940249
1-[(7-methoxy-2-oxochromen-4-yl)methyl]pyrrolidine-2,5-dione
CID 7819577
3-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-8-methoxychromen-2-one
CID 2146242
7-methoxy-4-methyl-3-[3-(2-methylmorpholin-4-yl)-3-oxopropyl]chromen-2-one
CID 51296291

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpiperidine-1-carbonyl)-7-methoxychromen-2-one?
The IUPAC name of 4-(3,5-dimethylpiperidine-1-carbonyl)-7-methoxychromen-2-one (CID 75796712) is 4-(3,5-dimethylpiperidine-1-carbonyl)-7-methoxychromen-2-one.
What is the SMILES notation for 4-(3,5-dimethylpiperidine-1-carbonyl)-7-methoxychromen-2-one?
The canonical SMILES for 4-(3,5-dimethylpiperidine-1-carbonyl)-7-methoxychromen-2-one is COc1ccc2c(C(=O)N3CC(C)CC(C)C3)cc(=O)oc2c1.
What is the InChIKey of 4-(3,5-dimethylpiperidine-1-carbonyl)-7-methoxychromen-2-one?
The InChIKey is DCRRQBPCLLAYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-11-6-12(2)10-19(9-11)18(21)15-8-17(20)23-16-7-13(22-3)4-5-14(15)16/h4-5,7-8,11-12H,6,9-10H2,1-3H3.
What are the key properties of 4-(3,5-dimethylpiperidine-1-carbonyl)-7-methoxychromen-2-one?
4-(3,5-dimethylpiperidine-1-carbonyl)-7-methoxychromen-2-one has a molecular weight of 315.37 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpiperidine-1-carbonyl)-7-methoxychromen-2-one is sourced from PubChem (CID 75796712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).