N-(3-methylpiperidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide

C16H22N2O2 — CID 79886091

IUPACN-(3-methylpiperidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCC1CNCCC1NC(=O)C1COc2ccccc2C1
InChIInChI=1S/C16H22N2O2/c1-11-9-17-7-6-14(11)18-16(19)13-8-12-4-2-3-5-15(12)20-10-13/h2-5,11,13-14,17H,6-10H2,1H3,(H,18,19)
InChIKeyWMYSQZIASJIPQT-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.35
Rot. Bonds2

About N-(3-methylpiperidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide

N-(3-methylpiperidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 79886091) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(3-methylpiperidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylpiperidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID79886091
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(3-methylpiperidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCC1CNCCC1NC(=O)C1COc2ccccc2C1
InChIInChI=1S/C16H22N2O2/c1-11-9-17-7-6-14(11)18-16(19)13-8-12-4-2-3-5-15(12)20-10-13/h2-5,11,13-14,17H,6-10H2,1H3,(H,18,19)
InChIKeyWMYSQZIASJIPQT-UHFFFAOYSA-N
XLogP1.35
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 120553307
2-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 64814303
N-[(1R,2R)-2-hydroxycyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 104927114
N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 42891679
3-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 66030337
N-[2-(hydroxymethyl)cyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 103798575
N-(4-hydroxycyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 43392973
N-(4-bromocyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 114309203
(3R)-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97072881
N-(3-methylpiperidin-4-yl)oxane-4-carboxamide
CID 79886712
N-ethyl-N-piperidin-4-yl-3,4-dihydro-2H-chromene-3-carboxamide
CID 63591250
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 120644607

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpiperidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-(3-methylpiperidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 79886091) is N-(3-methylpiperidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(3-methylpiperidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-(3-methylpiperidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide is CC1CNCCC1NC(=O)C1COc2ccccc2C1.
What is the InChIKey of N-(3-methylpiperidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is WMYSQZIASJIPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11-9-17-7-6-14(11)18-16(19)13-8-12-4-2-3-5-15(12)20-10-13/h2-5,11,13-14,17H,6-10H2,1H3,(H,18,19).
What are the key properties of N-(3-methylpiperidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
N-(3-methylpiperidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpiperidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 79886091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).