N-(1-benzylpiperidin-4-yl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide

C26H30N2O4 — CID 4904725

IUPACN-(1-benzylpiperidin-4-yl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
SMILESCCCc1cc(=O)oc2cc(OCC(=O)NC3CCN(Cc4ccccc4)CC3)ccc12
InChIInChI=1S/C26H30N2O4/c1-2-6-20-15-26(30)32-24-16-22(9-10-23(20)24)31-18-25(29)27-21-11-13-28(14-12-21)17-19-7-4-3-5-8-19/h3-5,7-10,15-16,21H,2,6,11-14,17-18H2,1H3,(H,27,29)
InChIKeyYDKBJUPATBRYEC-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.91
Rot. Bonds8

About N-(1-benzylpiperidin-4-yl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide

N-(1-benzylpiperidin-4-yl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide (PubChem CID 4904725) has the molecular formula C26H30N2O4 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
PubChem CID4904725
Molecular FormulaC26H30N2O4
Molecular Weight434.54 g/mol
Exact Mass434.22
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
SMILESCCCc1cc(=O)oc2cc(OCC(=O)NC3CCN(Cc4ccccc4)CC3)ccc12
InChIInChI=1S/C26H30N2O4/c1-2-6-20-15-26(30)32-24-16-22(9-10-23(20)24)31-18-25(29)27-21-11-13-28(14-12-21)17-19-7-4-3-5-8-19/h3-5,7-10,15-16,21H,2,6,11-14,17-18H2,1H3,(H,27,29)
InChIKeyYDKBJUPATBRYEC-UHFFFAOYSA-N
XLogP3.91
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.91
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

N-cyclopropyl-3-[[2-(2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]benzamide
CID 42378536
N-cyclopropyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 2571495
N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 124652638
2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-3-ylmethyl)acetamide
CID 4906159
N-(2,6-dimethylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 2196142
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 16575551
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 17447722
N-(1-benzylpiperidin-4-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 46488361
7-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-4-propylchromen-2-one
CID 42967629
N-(2-methylsulfonylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 9353959
N-(1-benzylpiperidin-4-yl)-2-methoxyacetamide
CID 836236
3-methyl-2-[[2-[[2-(2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]acetyl]amino]butanoic acid
CID 3716329

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide (CID 4904725) is N-(1-benzylpiperidin-4-yl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide is CCCc1cc(=O)oc2cc(OCC(=O)NC3CCN(Cc4ccccc4)CC3)ccc12.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide?
The InChIKey is YDKBJUPATBRYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4/c1-2-6-20-15-26(30)32-24-16-22(9-10-23(20)24)31-18-25(29)27-21-11-13-28(14-12-21)17-19-7-4-3-5-8-19/h3-5,7-10,15-16,21H,2,6,11-14,17-18H2,1H3,(H,27,29).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide?
N-(1-benzylpiperidin-4-yl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide has a molecular weight of 434.54 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide is sourced from PubChem (CID 4904725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).