N-[4-(2-oxochromen-4-yl)oxyphenyl]-2-piperidin-1-ylacetamide

C22H22N2O4 — CID 155550891

IUPACN-[4-(2-oxochromen-4-yl)oxyphenyl]-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1ccc(Oc2cc(=O)oc3ccccc23)cc1
InChIInChI=1S/C22H22N2O4/c25-21(15-24-12-4-1-5-13-24)23-16-8-10-17(11-9-16)27-20-14-22(26)28-19-7-3-2-6-18(19)20/h2-3,6-11,14H,1,4-5,12-13,15H2,(H,23,25)
InChIKeyPHLACHIKRYAJCZ-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.01
Rot. Bonds5

About N-[4-(2-oxochromen-4-yl)oxyphenyl]-2-piperidin-1-ylacetamide

N-[4-(2-oxochromen-4-yl)oxyphenyl]-2-piperidin-1-ylacetamide (PubChem CID 155550891) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[4-(2-oxochromen-4-yl)oxyphenyl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[4-(2-oxochromen-4-yl)oxyphenyl]-2-piperidin-1-ylacetamide
PubChem CID155550891
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC NameN-[4-(2-oxochromen-4-yl)oxyphenyl]-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1ccc(Oc2cc(=O)oc3ccccc23)cc1
InChIInChI=1S/C22H22N2O4/c25-21(15-24-12-4-1-5-13-24)23-16-8-10-17(11-9-16)27-20-14-22(26)28-19-7-3-2-6-18(19)20/h2-3,6-11,14H,1,4-5,12-13,15H2,(H,23,25)
InChIKeyPHLACHIKRYAJCZ-UHFFFAOYSA-N
XLogP4.01
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.01
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

2-(azepan-1-yl)-N-(4-phenoxyphenyl)acetamide chloride
CID 53350713
2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenoxy]phenyl]acetamide
CID 647483
N-(2-methoxydibenzofuran-3-yl)-2-piperidin-1-ylacetamide
CID 2697422
N-[4-(4-chlorophenoxy)phenyl]-2-piperidin-1-ylacetamide;oxalic acid
CID 71374350
N-(2-acetyl-1-benzofuran-3-yl)-2-piperidin-1-ylacetamide;hydrochloride
CID 2916581
N-(2-methoxyphenyl)-2-[4-(2-oxochromen-4-yl)piperazin-1-yl]acetamide
CID 72715202
2-(azepan-1-yl)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 54814562
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
CID 54814408
N-[4-(2-chlorophenoxy)phenyl]-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide
CID 30739596
4-[2-[4-(2-chlorophenoxy)anilino]-2-oxoethyl]-N-ethylpiperazine-1-carboxamide
CID 78827977
N-[4-[(7-methoxy-2-oxochromen-4-yl)amino]phenyl]-2-morpholin-4-ylacetamide
CID 155546029
N-butyl-2-(4-fluorophenoxy)-5-[(2-pyrrolidin-1-ylacetyl)amino]benzamide
CID 66560068

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-oxochromen-4-yl)oxyphenyl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[4-(2-oxochromen-4-yl)oxyphenyl]-2-piperidin-1-ylacetamide (CID 155550891) is N-[4-(2-oxochromen-4-yl)oxyphenyl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[4-(2-oxochromen-4-yl)oxyphenyl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[4-(2-oxochromen-4-yl)oxyphenyl]-2-piperidin-1-ylacetamide is O=C(CN1CCCCC1)Nc1ccc(Oc2cc(=O)oc3ccccc23)cc1.
What is the InChIKey of N-[4-(2-oxochromen-4-yl)oxyphenyl]-2-piperidin-1-ylacetamide?
The InChIKey is PHLACHIKRYAJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c25-21(15-24-12-4-1-5-13-24)23-16-8-10-17(11-9-16)27-20-14-22(26)28-19-7-3-2-6-18(19)20/h2-3,6-11,14H,1,4-5,12-13,15H2,(H,23,25).
What are the key properties of N-[4-(2-oxochromen-4-yl)oxyphenyl]-2-piperidin-1-ylacetamide?
N-[4-(2-oxochromen-4-yl)oxyphenyl]-2-piperidin-1-ylacetamide has a molecular weight of 378.43 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-oxochromen-4-yl)oxyphenyl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 155550891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).