N-ethyl-N-piperidin-4-yl-3,4-dihydro-2H-chromene-3-carboxamide

C17H24N2O2 — CID 63591250

IUPACN-ethyl-N-piperidin-4-yl-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCCN(C(=O)C1COc2ccccc2C1)C1CCNCC1
InChIInChI=1S/C17H24N2O2/c1-2-19(15-7-9-18-10-8-15)17(20)14-11-13-5-3-4-6-16(13)21-12-14/h3-6,14-15,18H,2,7-12H2,1H3
InChIKeyDFQUHLCBLOWYKQ-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.84
Rot. Bonds3

About N-ethyl-N-piperidin-4-yl-3,4-dihydro-2H-chromene-3-carboxamide

N-ethyl-N-piperidin-4-yl-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 63591250) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-ethyl-N-piperidin-4-yl-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-piperidin-4-yl-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID63591250
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-ethyl-N-piperidin-4-yl-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCCN(C(=O)C1COc2ccccc2C1)C1CCNCC1
InChIInChI=1S/C17H24N2O2/c1-2-19(15-7-9-18-10-8-15)17(20)14-11-13-5-3-4-6-16(13)21-12-14/h3-6,14-15,18H,2,7-12H2,1H3
InChIKeyDFQUHLCBLOWYKQ-UHFFFAOYSA-N
XLogP1.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 42891679
N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 72855778
N-piperidin-4-yl-N-propyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 60806589
3,4-dihydro-2H-chromen-3-yl(piperazin-1-yl)methanone
CID 63565455
2-[cyclopropyl(3,4-dihydro-2H-chromene-3-carbonyl)amino]propanoic acid
CID 119202619
3,4-dihydro-2H-chromene-3-carboxylic acid
CID 162072408
N-cyclopropyl-N-ethylpiperidine-4-carboxamide
CID 43264267
2-[tert-butyl(3,4-dihydro-2H-chromene-3-carbonyl)amino]acetic acid
CID 79265135
N-ethyl-N-piperidin-3-yl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 60807234
N-(3-methylpiperidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 79886091
(3S)-3,4-dihydro-2H-chromene-3-carboxamide
CID 51885464
propyl 3,4-dihydro-2H-chromene-3-carboxylate
CID 60731106

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-piperidin-4-yl-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-ethyl-N-piperidin-4-yl-3,4-dihydro-2H-chromene-3-carboxamide (CID 63591250) is N-ethyl-N-piperidin-4-yl-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-ethyl-N-piperidin-4-yl-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-ethyl-N-piperidin-4-yl-3,4-dihydro-2H-chromene-3-carboxamide is CCN(C(=O)C1COc2ccccc2C1)C1CCNCC1.
What is the InChIKey of N-ethyl-N-piperidin-4-yl-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is DFQUHLCBLOWYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-2-19(15-7-9-18-10-8-15)17(20)14-11-13-5-3-4-6-16(13)21-12-14/h3-6,14-15,18H,2,7-12H2,1H3.
What are the key properties of N-ethyl-N-piperidin-4-yl-3,4-dihydro-2H-chromene-3-carboxamide?
N-ethyl-N-piperidin-4-yl-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-piperidin-4-yl-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 63591250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).