N-[3-hydroxy-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-(7-methoxy-2-oxochromen-4-yl)acetamide

C26H29N3O7 — CID 3379087

IUPACN-[3-hydroxy-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-(7-methoxy-2-oxochromen-4-yl)acetamide
SMILESCOc1ccc2c(CC(=O)NC(CO)C(=O)N3CCN(c4ccccc4OC)CC3)cc(=O)oc2c1
InChIInChI=1S/C26H29N3O7/c1-34-18-7-8-19-17(14-25(32)36-23(19)15-18)13-24(31)27-20(16-30)26(33)29-11-9-28(10-12-29)21-5-3-4-6-22(21)35-2/h3-8,14-15,20,30H,9-13,16H2,1-2H3,(H,27,31)
InChIKeyMCNIBKMKHXCLLE-UHFFFAOYSA-N
MW495.53 g/mol
LogP1.18
Rot. Bonds8

About N-[3-hydroxy-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-(7-methoxy-2-oxochromen-4-yl)acetamide

N-[3-hydroxy-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-(7-methoxy-2-oxochromen-4-yl)acetamide (PubChem CID 3379087) has the molecular formula C26H29N3O7 and a molecular weight of 495.53 g/mol. Its IUPAC name is N-[3-hydroxy-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-(7-methoxy-2-oxochromen-4-yl)acetamide.

Molecular Properties

Compound NameN-[3-hydroxy-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-(7-methoxy-2-oxochromen-4-yl)acetamide
PubChem CID3379087
Molecular FormulaC26H29N3O7
Molecular Weight495.53 g/mol
Exact Mass495.20
IUPAC NameN-[3-hydroxy-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-(7-methoxy-2-oxochromen-4-yl)acetamide
SMILESCOc1ccc2c(CC(=O)NC(CO)C(=O)N3CCN(c4ccccc4OC)CC3)cc(=O)oc2c1
InChIInChI=1S/C26H29N3O7/c1-34-18-7-8-19-17(14-25(32)36-23(19)15-18)13-24(31)27-20(16-30)26(33)29-11-9-28(10-12-29)21-5-3-4-6-22(21)35-2/h3-8,14-15,20,30H,9-13,16H2,1-2H3,(H,27,31)
InChIKeyMCNIBKMKHXCLLE-UHFFFAOYSA-N
XLogP1.18
TPSA121.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.53
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclohexylmethyl)-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanamide
CID 4608789
7-methoxy-4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]chromen-2-one
CID 46563126
(2S)-N-cyclopentyl-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanamide
CID 6723110
N-[3-hydroxy-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-9,10-dioxoanthracene-2-carboxamide
CID 4117943
(2S)-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]-N-(2-morpholin-4-ylethyl)propanamide
CID 6723132
N-[(2S)-3-hydroxy-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2,2-dimethyl-4-oxo-3H-pyran-6-carboxamide
CID 6723925
2-(7-methoxy-2-oxochromen-4-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 41180448
7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]-4-phenylchromen-2-one
CID 56971557
2-(5-methoxy-1-benzofuran-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 18860278
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone
CID 7922202
N-[(2S)-3-hydroxy-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide
CID 6724835
benzyl 4-[(2S)-3-hydroxy-2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]propanoyl]-1,4-diazepane-1-carboxylate
CID 6723225

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-(7-methoxy-2-oxochromen-4-yl)acetamide?
The IUPAC name of N-[3-hydroxy-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-(7-methoxy-2-oxochromen-4-yl)acetamide (CID 3379087) is N-[3-hydroxy-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-(7-methoxy-2-oxochromen-4-yl)acetamide.
What is the SMILES notation for N-[3-hydroxy-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-(7-methoxy-2-oxochromen-4-yl)acetamide?
The canonical SMILES for N-[3-hydroxy-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-(7-methoxy-2-oxochromen-4-yl)acetamide is COc1ccc2c(CC(=O)NC(CO)C(=O)N3CCN(c4ccccc4OC)CC3)cc(=O)oc2c1.
What is the InChIKey of N-[3-hydroxy-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-(7-methoxy-2-oxochromen-4-yl)acetamide?
The InChIKey is MCNIBKMKHXCLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O7/c1-34-18-7-8-19-17(14-25(32)36-23(19)15-18)13-24(31)27-20(16-30)26(33)29-11-9-28(10-12-29)21-5-3-4-6-22(21)35-2/h3-8,14-15,20,30H,9-13,16H2,1-2H3,(H,27,31).
What are the key properties of N-[3-hydroxy-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-(7-methoxy-2-oxochromen-4-yl)acetamide?
N-[3-hydroxy-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-(7-methoxy-2-oxochromen-4-yl)acetamide has a molecular weight of 495.53 g/mol, XLogP of 1.18, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-(7-methoxy-2-oxochromen-4-yl)acetamide is sourced from PubChem (CID 3379087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).