4-methyl-N-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]piperazine-1-carboxamide

C22H30N4O4 — CID 118063803

IUPAC4-methyl-N-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]piperazine-1-carboxamide
SMILESCc1c(OC2CCN(C)CC2)ccc2cc(NC(=O)N3CCN(C)CC3)c(=O)oc12
InChIInChI=1S/C22H30N4O4/c1-15-19(29-17-6-8-24(2)9-7-17)5-4-16-14-18(21(27)30-20(15)16)23-22(28)26-12-10-25(3)11-13-26/h4-5,14,17H,6-13H2,1-3H3,(H,23,28)
InChIKeyRPZOVXPVPKQNKS-UHFFFAOYSA-N
MW414.51 g/mol
LogP2.35
Rot. Bonds3

About 4-methyl-N-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]piperazine-1-carboxamide

4-methyl-N-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]piperazine-1-carboxamide (PubChem CID 118063803) has the molecular formula C22H30N4O4 and a molecular weight of 414.51 g/mol. Its IUPAC name is 4-methyl-N-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]piperazine-1-carboxamide
PubChem CID118063803
Molecular FormulaC22H30N4O4
Molecular Weight414.51 g/mol
Exact Mass414.23
IUPAC Name4-methyl-N-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]piperazine-1-carboxamide
SMILESCc1c(OC2CCN(C)CC2)ccc2cc(NC(=O)N3CCN(C)CC3)c(=O)oc12
InChIInChI=1S/C22H30N4O4/c1-15-19(29-17-6-8-24(2)9-7-17)5-4-16-14-18(21(27)30-20(15)16)23-22(28)26-12-10-25(3)11-13-26/h4-5,14,17H,6-13H2,1-3H3,(H,23,28)
InChIKeyRPZOVXPVPKQNKS-UHFFFAOYSA-N
XLogP2.35
TPSA78.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]carbamate
CID 53260576
1-(4-chloro-3-methylphenyl)-3-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]urea
CID 118064211
1-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]-3-(3-phenylphenyl)urea
CID 118064332
1,1-dibenzyl-3-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]urea;molecular hydrogen
CID 144843329
1-[3-(3-methoxyphenyl)phenyl]-3-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]urea
CID 118064397
1-benzyl-N-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]triazole-4-carboxamide
CID 130386223
4-methoxy-3-(3-methoxyphenyl)-N-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]benzamide
CID 56680135
N-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]-1-(2-phenylethyl)triazole-4-carboxamide
CID 122220141
1-[3-(3-methylbut-2-enyl)phenyl]-3-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]urea;molecular hydrogen
CID 144843331
8-methyl-7-(1-methylpiperidin-4-yl)oxy-3-phenacylchromen-2-one
CID 122597655
3-(4,4-dimethyl-2-oxopentyl)-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one
CID 149404995
benzyl N-[8-methyl-7-(1-methylpiperidin-3-yl)oxy-2-oxochromen-3-yl]carbamate
CID 118343797

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]piperazine-1-carboxamide?
The IUPAC name of 4-methyl-N-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]piperazine-1-carboxamide (CID 118063803) is 4-methyl-N-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-methyl-N-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]piperazine-1-carboxamide is Cc1c(OC2CCN(C)CC2)ccc2cc(NC(=O)N3CCN(C)CC3)c(=O)oc12.
What is the InChIKey of 4-methyl-N-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]piperazine-1-carboxamide?
The InChIKey is RPZOVXPVPKQNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4/c1-15-19(29-17-6-8-24(2)9-7-17)5-4-16-14-18(21(27)30-20(15)16)23-22(28)26-12-10-25(3)11-13-26/h4-5,14,17H,6-13H2,1-3H3,(H,23,28).
What are the key properties of 4-methyl-N-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]piperazine-1-carboxamide?
4-methyl-N-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]piperazine-1-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]piperazine-1-carboxamide is sourced from PubChem (CID 118063803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).