2-[4-(6-chloro-2H-chromene-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide

C19H22ClN3O4 — CID 51279132

IUPAC2-[4-(6-chloro-2H-chromene-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(=O)N1CCN(C(=O)C2=Cc3cc(Cl)ccc3OC2)CC1
InChIInChI=1S/C19H22ClN3O4/c1-12(2)21-17(24)19(26)23-7-5-22(6-8-23)18(25)14-9-13-10-15(20)3-4-16(13)27-11-14/h3-4,9-10,12H,5-8,11H2,1-2H3,(H,21,24)
InChIKeyXMLQEDKBEOATAU-UHFFFAOYSA-N
MW391.86 g/mol
LogP1.31
Rot. Bonds2

About 2-[4-(6-chloro-2H-chromene-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide

2-[4-(6-chloro-2H-chromene-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide (PubChem CID 51279132) has the molecular formula C19H22ClN3O4 and a molecular weight of 391.86 g/mol. Its IUPAC name is 2-[4-(6-chloro-2H-chromene-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(6-chloro-2H-chromene-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
PubChem CID51279132
Molecular FormulaC19H22ClN3O4
Molecular Weight391.86 g/mol
Exact Mass391.13
IUPAC Name2-[4-(6-chloro-2H-chromene-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(=O)N1CCN(C(=O)C2=Cc3cc(Cl)ccc3OC2)CC1
InChIInChI=1S/C19H22ClN3O4/c1-12(2)21-17(24)19(26)23-7-5-22(6-8-23)18(25)14-9-13-10-15(20)3-4-16(13)27-11-14/h3-4,9-10,12H,5-8,11H2,1-2H3,(H,21,24)
InChIKeyXMLQEDKBEOATAU-UHFFFAOYSA-N
XLogP1.31
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-(6-chloro-2H-chromene-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 51257683
1-(6-chloro-2H-chromene-3-carbonyl)-1,4-diazepan-5-one
CID 62046256
(6-chloro-2H-chromen-3-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 134005447
(6-chloro-2H-chromen-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 119625169
N-(1-amino-1-oxopropan-2-yl)-6-chloro-2H-chromene-3-carboxamide
CID 47014819
6-chloro-2H-chromene-3-carbonyl chloride
CID 2735716
methyl 2-[(6-chloro-2H-chromene-3-carbonyl)-propan-2-ylamino]acetate
CID 78884644
6-chloro-N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-2H-chromene-3-carboxamide
CID 60532279
6-chloro-N-ethoxy-2H-chromene-3-carboxamide
CID 60700765
(6-chloro-2H-chromen-3-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 72912852
1-[5-[2-(6-chloro-2H-chromene-3-carbonyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]thiophen-2-yl]ethanone
CID 3821331
(6-chloro-2H-chromen-3-yl)-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 96577008

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-chloro-2H-chromene-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(6-chloro-2H-chromene-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide (CID 51279132) is 2-[4-(6-chloro-2H-chromene-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(6-chloro-2H-chromene-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(6-chloro-2H-chromene-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide is CC(C)NC(=O)C(=O)N1CCN(C(=O)C2=Cc3cc(Cl)ccc3OC2)CC1.
What is the InChIKey of 2-[4-(6-chloro-2H-chromene-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide?
The InChIKey is XMLQEDKBEOATAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O4/c1-12(2)21-17(24)19(26)23-7-5-22(6-8-23)18(25)14-9-13-10-15(20)3-4-16(13)27-11-14/h3-4,9-10,12H,5-8,11H2,1-2H3,(H,21,24).
What are the key properties of 2-[4-(6-chloro-2H-chromene-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide?
2-[4-(6-chloro-2H-chromene-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide has a molecular weight of 391.86 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-chloro-2H-chromene-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide is sourced from PubChem (CID 51279132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).