N-(4-methyl-2-oxochromen-7-yl)-2-(piperidin-4-ylamino)acetamide

C17H21N3O3 — CID 134131876

IUPACN-(4-methyl-2-oxochromen-7-yl)-2-(piperidin-4-ylamino)acetamide
SMILESCc1cc(=O)oc2cc(NC(=O)CNC3CCNCC3)ccc12
InChIInChI=1S/C17H21N3O3/c1-11-8-17(22)23-15-9-13(2-3-14(11)15)20-16(21)10-19-12-4-6-18-7-5-12/h2-3,8-9,12,18-19H,4-7,10H2,1H3,(H,20,21)
InChIKeyFWZSYNOPNTZEAT-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.38
Rot. Bonds4

About N-(4-methyl-2-oxochromen-7-yl)-2-(piperidin-4-ylamino)acetamide

N-(4-methyl-2-oxochromen-7-yl)-2-(piperidin-4-ylamino)acetamide (PubChem CID 134131876) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-(4-methyl-2-oxochromen-7-yl)-2-(piperidin-4-ylamino)acetamide.

Molecular Properties

Compound NameN-(4-methyl-2-oxochromen-7-yl)-2-(piperidin-4-ylamino)acetamide
PubChem CID134131876
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-(4-methyl-2-oxochromen-7-yl)-2-(piperidin-4-ylamino)acetamide
SMILESCc1cc(=O)oc2cc(NC(=O)CNC3CCNCC3)ccc12
InChIInChI=1S/C17H21N3O3/c1-11-8-17(22)23-15-9-13(2-3-14(11)15)20-16(21)10-19-12-4-6-18-7-5-12/h2-3,8-9,12,18-19H,4-7,10H2,1H3,(H,20,21)
InChIKeyFWZSYNOPNTZEAT-UHFFFAOYSA-N
XLogP1.38
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 688482
3-cyclopentyl-N-(4-methyl-2-oxochromen-7-yl)propanamide
CID 26878521
N-(4-methyl-2-oxochromen-7-yl)cyclopropanecarboxamide
CID 26878502
N-(4-methyl-2-oxochromen-7-yl)-5-oxopyrrolidine-2-carboxamide
CID 5102257
N'-hydroxy-N-(4-methyl-2-oxochromen-7-yl)octanediamide
CID 53393956
1-cyclooctyl-3-(4-methyl-2-oxochromen-7-yl)thiourea
CID 19650553
N-(4-methyl-2-oxochromen-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 171911797
N-(4-methyl-2-oxochromen-7-yl)-2-naphthalen-2-ylacetamide
CID 26878478
2-(3,4-dimethoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 2166757
6-acetamido-N-(4-methyl-2-oxochromen-7-yl)hexanamide
CID 10758804
2-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 19166972
N-(4-methyl-2-oxochromen-7-yl)-3-(2-oxo-1-pyridinyl)propanamide
CID 172659008

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-oxochromen-7-yl)-2-(piperidin-4-ylamino)acetamide?
The IUPAC name of N-(4-methyl-2-oxochromen-7-yl)-2-(piperidin-4-ylamino)acetamide (CID 134131876) is N-(4-methyl-2-oxochromen-7-yl)-2-(piperidin-4-ylamino)acetamide.
What is the SMILES notation for N-(4-methyl-2-oxochromen-7-yl)-2-(piperidin-4-ylamino)acetamide?
The canonical SMILES for N-(4-methyl-2-oxochromen-7-yl)-2-(piperidin-4-ylamino)acetamide is Cc1cc(=O)oc2cc(NC(=O)CNC3CCNCC3)ccc12.
What is the InChIKey of N-(4-methyl-2-oxochromen-7-yl)-2-(piperidin-4-ylamino)acetamide?
The InChIKey is FWZSYNOPNTZEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-11-8-17(22)23-15-9-13(2-3-14(11)15)20-16(21)10-19-12-4-6-18-7-5-12/h2-3,8-9,12,18-19H,4-7,10H2,1H3,(H,20,21).
What are the key properties of N-(4-methyl-2-oxochromen-7-yl)-2-(piperidin-4-ylamino)acetamide?
N-(4-methyl-2-oxochromen-7-yl)-2-(piperidin-4-ylamino)acetamide has a molecular weight of 315.37 g/mol, XLogP of 1.38, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-oxochromen-7-yl)-2-(piperidin-4-ylamino)acetamide is sourced from PubChem (CID 134131876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).