3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]propanamide

C27H30N2O5 — CID 55693252

IUPAC3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]propanamide
SMILESCOc1ccc2c(C)c(CCC(=O)NCc3cccc(C(=O)N4CCCCC4)c3)c(=O)oc2c1
InChIInChI=1S/C27H30N2O5/c1-18-22-10-9-21(33-2)16-24(22)34-27(32)23(18)11-12-25(30)28-17-19-7-6-8-20(15-19)26(31)29-13-4-3-5-14-29/h6-10,15-16H,3-5,11-14,17H2,1-2H3,(H,28,30)
InChIKeyYEOGHMXFPFBTBR-UHFFFAOYSA-N
MW462.55 g/mol
LogP3.99
Rot. Bonds7

About 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]propanamide

3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]propanamide (PubChem CID 55693252) has the molecular formula C27H30N2O5 and a molecular weight of 462.55 g/mol. Its IUPAC name is 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]propanamide
PubChem CID55693252
Molecular FormulaC27H30N2O5
Molecular Weight462.55 g/mol
Exact Mass462.22
IUPAC Name3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]propanamide
SMILESCOc1ccc2c(C)c(CCC(=O)NCc3cccc(C(=O)N4CCCCC4)c3)c(=O)oc2c1
InChIInChI=1S/C27H30N2O5/c1-18-22-10-9-21(33-2)16-24(22)34-27(32)23(18)11-12-25(30)28-17-19-7-6-8-20(15-19)26(31)29-13-4-3-5-14-29/h6-10,15-16H,3-5,11-14,17H2,1-2H3,(H,28,30)
InChIKeyYEOGHMXFPFBTBR-UHFFFAOYSA-N
XLogP3.99
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 4914211
7-methoxy-4-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)chromen-2-one
CID 4914201
methyl 4-[[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]methyl]benzoate
CID 18131820
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 55839692
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 18146157
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 71951013
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[[2-(methoxymethyl)phenyl]methyl]propanamide
CID 32605712
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 55690999
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(2-piperazin-1-ylethyl)propanamide
CID 119445603
3-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 4837736
3-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]-4-piperidin-1-ylbenzamide
CID 55528687
N-[3-(dimethylamino)propyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 4965116

Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]propanamide?
The IUPAC name of 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]propanamide (CID 55693252) is 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]propanamide is COc1ccc2c(C)c(CCC(=O)NCc3cccc(C(=O)N4CCCCC4)c3)c(=O)oc2c1.
What is the InChIKey of 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]propanamide?
The InChIKey is YEOGHMXFPFBTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O5/c1-18-22-10-9-21(33-2)16-24(22)34-27(32)23(18)11-12-25(30)28-17-19-7-6-8-20(15-19)26(31)29-13-4-3-5-14-29/h6-10,15-16H,3-5,11-14,17H2,1-2H3,(H,28,30).
What are the key properties of 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]propanamide?
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]propanamide has a molecular weight of 462.55 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]propanamide is sourced from PubChem (CID 55693252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).