N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-oxochromene-6-carboxamide

C20H25N3O4 — CID 146193182

IUPACN-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-oxochromene-6-carboxamide
SMILESCC(N)C(=O)N1CCC(C(C)NC(=O)c2ccc3oc(=O)ccc3c2)CC1
InChIInChI=1S/C20H25N3O4/c1-12(21)20(26)23-9-7-14(8-10-23)13(2)22-19(25)16-3-5-17-15(11-16)4-6-18(24)27-17/h3-6,11-14H,7-10,21H2,1-2H3,(H,22,25)
InChIKeyCLKVJXXZHDLDEW-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.50
Rot. Bonds4

About N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-oxochromene-6-carboxamide

N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-oxochromene-6-carboxamide (PubChem CID 146193182) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-oxochromene-6-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-oxochromene-6-carboxamide
PubChem CID146193182
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC NameN-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-oxochromene-6-carboxamide
SMILESCC(N)C(=O)N1CCC(C(C)NC(=O)c2ccc3oc(=O)ccc3c2)CC1
InChIInChI=1S/C20H25N3O4/c1-12(21)20(26)23-9-7-14(8-10-23)13(2)22-19(25)16-3-5-17-15(11-16)4-6-18(24)27-17/h3-6,11-14H,7-10,21H2,1-2H3,(H,22,25)
InChIKeyCLKVJXXZHDLDEW-UHFFFAOYSA-N
XLogP1.50
TPSA105.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]naphthalene-2-carboxamide
CID 146193092
N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 146193051
N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-methylpyridine-4-carboxamide
CID 146193124
N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-4-(1,2,4-triazol-4-yl)benzamide
CID 146193082
N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]quinoline-2-carboxamide
CID 146193122
(4R)-N-(2-oxochromen-6-yl)-4-propan-2-ylazepane-1-carboxamide
CID 99808304
N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 146193165
4-amino-N-[1-(1-methylsulfonylpiperidin-4-yl)ethyl]benzamide
CID 163630065
N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]ethyl]-6-chloro-2-oxo-1,3-dihydroindole-5-carboxamide
CID 118946467
4-amino-N-(1-cyclopentylethyl)benzamide;hydrochloride
CID 119782446
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(1-benzofuran-2-yl)propan-1-one;hydrochloride
CID 119518879
5-[3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]butanoyl]-1,3-dihydroinden-2-one
CID 152901113

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-oxochromene-6-carboxamide?
The IUPAC name of N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-oxochromene-6-carboxamide (CID 146193182) is N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-oxochromene-6-carboxamide.
What is the SMILES notation for N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-oxochromene-6-carboxamide?
The canonical SMILES for N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-oxochromene-6-carboxamide is CC(N)C(=O)N1CCC(C(C)NC(=O)c2ccc3oc(=O)ccc3c2)CC1.
What is the InChIKey of N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-oxochromene-6-carboxamide?
The InChIKey is CLKVJXXZHDLDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-12(21)20(26)23-9-7-14(8-10-23)13(2)22-19(25)16-3-5-17-15(11-16)4-6-18(24)27-17/h3-6,11-14H,7-10,21H2,1-2H3,(H,22,25).
What are the key properties of N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-oxochromene-6-carboxamide?
N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-oxochromene-6-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-oxochromene-6-carboxamide is sourced from PubChem (CID 146193182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).