N-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide

C17H25N3O2 — CID 22578144

IUPACN-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCN1CCN(CCNC(=O)C2COc3ccccc3C2)CC1
InChIInChI=1S/C17H25N3O2/c1-19-8-10-20(11-9-19)7-6-18-17(21)15-12-14-4-2-3-5-16(14)22-13-15/h2-5,15H,6-13H2,1H3,(H,18,21)
InChIKeyKGBWMAFSXPVJRI-UHFFFAOYSA-N
MW303.41 g/mol
LogP0.60
Rot. Bonds4

About N-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide

N-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 22578144) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID22578144
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCN1CCN(CCNC(=O)C2COc3ccccc3C2)CC1
InChIInChI=1S/C17H25N3O2/c1-19-8-10-20(11-9-19)7-6-18-17(21)15-12-14-4-2-3-5-16(14)22-13-15/h2-5,15H,6-13H2,1H3,(H,18,21)
InChIKeyKGBWMAFSXPVJRI-UHFFFAOYSA-N
XLogP0.60
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 94853734
N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 126767629
N-[2-(4-methylpyrazol-1-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 72909703
N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 42891679
(3R)-N-(3-methylsulfonylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95644954
N-(4-hydroxybutyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 106843420
(3S)-N-[2-[(2S)-2,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 42317934
4-(3,4-dihydro-2H-chromene-3-carbonylamino)butanoic acid
CID 43241764
N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578103
N-(3-propan-2-yloxypropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578122
N-(2-bromo-3-ethylpentyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 106288162
1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-[2-(4-ethylpiperazin-1-yl)ethyl]urea
CID 92765157

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 22578144) is N-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide is CN1CCN(CCNC(=O)C2COc3ccccc3C2)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is KGBWMAFSXPVJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-19-8-10-20(11-9-19)7-6-18-17(21)15-12-14-4-2-3-5-16(14)22-13-15/h2-5,15H,6-13H2,1H3,(H,18,21).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
N-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 22578144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).