2-[4-[2-(3,4-dimethyl-2-oxochromen-7-yl)oxypropanoyl]piperazin-1-yl]-N,N-dimethylacetamide

C22H29N3O5 — CID 171386982

IUPAC2-[4-[2-(3,4-dimethyl-2-oxochromen-7-yl)oxypropanoyl]piperazin-1-yl]-N,N-dimethylacetamide
SMILESCc1c(C)c2ccc(OC(C)C(=O)N3CCN(CC(=O)N(C)C)CC3)cc2oc1=O
InChIInChI=1S/C22H29N3O5/c1-14-15(2)22(28)30-19-12-17(6-7-18(14)19)29-16(3)21(27)25-10-8-24(9-11-25)13-20(26)23(4)5/h6-7,12,16H,8-11,13H2,1-5H3
InChIKeyGWGMEEZZJIIHMJ-UHFFFAOYSA-N
MW415.49 g/mol
LogP1.41
Rot. Bonds5

About 2-[4-[2-(3,4-dimethyl-2-oxochromen-7-yl)oxypropanoyl]piperazin-1-yl]-N,N-dimethylacetamide

2-[4-[2-(3,4-dimethyl-2-oxochromen-7-yl)oxypropanoyl]piperazin-1-yl]-N,N-dimethylacetamide (PubChem CID 171386982) has the molecular formula C22H29N3O5 and a molecular weight of 415.49 g/mol. Its IUPAC name is 2-[4-[2-(3,4-dimethyl-2-oxochromen-7-yl)oxypropanoyl]piperazin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[2-(3,4-dimethyl-2-oxochromen-7-yl)oxypropanoyl]piperazin-1-yl]-N,N-dimethylacetamide
PubChem CID171386982
Molecular FormulaC22H29N3O5
Molecular Weight415.49 g/mol
Exact Mass415.21
IUPAC Name2-[4-[2-(3,4-dimethyl-2-oxochromen-7-yl)oxypropanoyl]piperazin-1-yl]-N,N-dimethylacetamide
SMILESCc1c(C)c2ccc(OC(C)C(=O)N3CCN(CC(=O)N(C)C)CC3)cc2oc1=O
InChIInChI=1S/C22H29N3O5/c1-14-15(2)22(28)30-19-12-17(6-7-18(14)19)29-16(3)21(27)25-10-8-24(9-11-25)13-20(26)23(4)5/h6-7,12,16H,8-11,13H2,1-5H3
InChIKeyGWGMEEZZJIIHMJ-UHFFFAOYSA-N
XLogP1.41
TPSA83.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[4-[2-(3,4-dimethyl-2-oxochromen-7-yl)oxypropanoyl]piperazin-1-yl]-N,N-dimethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[1-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-1-oxopropan-2-yl]oxy-3,4-dimethylchromen-2-one
CID 171912849
7-[1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-1-oxopropan-2-yl]oxy-3,4-dimethylchromen-2-one
CID 171915165
7-[1-[(1S,5R)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-1-oxopropan-2-yl]oxy-3,4-dimethylchromen-2-one
CID 172669271
7-[(2R)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one
CID 7610793
N-[3-(dimethylamino)propyl]-2-(3,4-dimethyl-2-oxochromen-7-yl)oxypropanamide
CID 4908121
4-ethyl-7-[1-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]oxychromen-2-one
CID 171912720
4-methyl-7-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]oxychromen-2-one
CID 734865
2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 171389849
2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
CID 171907889
4-ethyl-7-[1-oxo-1-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]propan-2-yl]oxychromen-2-one
CID 171912201
3-[(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]oxybenzo[c]chromen-6-one
CID 41068327
(2S,3R)-2-[[(2S)-2-(3,4-dimethyl-2-oxochromen-7-yl)oxypropanoyl]amino]-3-methylpentanoic acid
CID 6353597

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3,4-dimethyl-2-oxochromen-7-yl)oxypropanoyl]piperazin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[2-(3,4-dimethyl-2-oxochromen-7-yl)oxypropanoyl]piperazin-1-yl]-N,N-dimethylacetamide (CID 171386982) is 2-[4-[2-(3,4-dimethyl-2-oxochromen-7-yl)oxypropanoyl]piperazin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[2-(3,4-dimethyl-2-oxochromen-7-yl)oxypropanoyl]piperazin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[2-(3,4-dimethyl-2-oxochromen-7-yl)oxypropanoyl]piperazin-1-yl]-N,N-dimethylacetamide is Cc1c(C)c2ccc(OC(C)C(=O)N3CCN(CC(=O)N(C)C)CC3)cc2oc1=O.
What is the InChIKey of 2-[4-[2-(3,4-dimethyl-2-oxochromen-7-yl)oxypropanoyl]piperazin-1-yl]-N,N-dimethylacetamide?
The InChIKey is GWGMEEZZJIIHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5/c1-14-15(2)22(28)30-19-12-17(6-7-18(14)19)29-16(3)21(27)25-10-8-24(9-11-25)13-20(26)23(4)5/h6-7,12,16H,8-11,13H2,1-5H3.
What are the key properties of 2-[4-[2-(3,4-dimethyl-2-oxochromen-7-yl)oxypropanoyl]piperazin-1-yl]-N,N-dimethylacetamide?
2-[4-[2-(3,4-dimethyl-2-oxochromen-7-yl)oxypropanoyl]piperazin-1-yl]-N,N-dimethylacetamide has a molecular weight of 415.49 g/mol, XLogP of 1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3,4-dimethyl-2-oxochromen-7-yl)oxypropanoyl]piperazin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 171386982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).