1-(3,4-dihydro-2H-chromene-6-carbonyl)piperidine-4-carboxamide

C16H20N2O3 — CID 110693355

IUPAC1-(3,4-dihydro-2H-chromene-6-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2ccc3c(c2)CCCO3)CC1
InChIInChI=1S/C16H20N2O3/c17-15(19)11-5-7-18(8-6-11)16(20)13-3-4-14-12(10-13)2-1-9-21-14/h3-4,10-11H,1-2,5-9H2,(H2,17,19)
InChIKeyVSNHBXOFUJASHG-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.35
Rot. Bonds2

About 1-(3,4-dihydro-2H-chromene-6-carbonyl)piperidine-4-carboxamide

1-(3,4-dihydro-2H-chromene-6-carbonyl)piperidine-4-carboxamide (PubChem CID 110693355) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromene-6-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromene-6-carbonyl)piperidine-4-carboxamide
PubChem CID110693355
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-(3,4-dihydro-2H-chromene-6-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2ccc3c(c2)CCCO3)CC1
InChIInChI=1S/C16H20N2O3/c17-15(19)11-5-7-18(8-6-11)16(20)13-3-4-14-12(10-13)2-1-9-21-14/h3-4,10-11H,1-2,5-9H2,(H2,17,19)
InChIKeyVSNHBXOFUJASHG-UHFFFAOYSA-N
XLogP1.35
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-2H-chromen-6-yl-(4-hydroxypiperidin-1-yl)methanone
CID 82485167
3,4-dihydro-2H-chromen-6-yl(piperidin-1-yl)methanone
CID 110693318
2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-1-yl)methanone
CID 60739558
[4-(aminomethyl)piperidin-1-yl]-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 55218662
2,3-dihydro-1-benzofuran-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone
CID 86985261
N-cyclopentyl-4-(3,4-dihydro-2H-chromene-6-carbonyl)piperazine-1-carboxamide
CID 110812686
3,4-dihydro-2H-chromen-6-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 119073914
2-[1-(2,3-dihydro-1-benzofuran-5-carbonyl)piperidin-4-yl]acetic acid
CID 78979831
3,4-dihydro-2H-chromen-6-yl-[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methanone
CID 126438461
1-(2,3-dihydro-1-benzofuran-5-carbonyl)-4-methylpiperidine-4-carbothioamide
CID 107161128
5-[4-(3,4-dihydro-2H-chromene-6-carbonyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 110816231
3,4-dihydro-2H-chromen-6-yl-[4-(2-methylbenzoyl)piperazin-1-yl]methanone
CID 110802138

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromene-6-carbonyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3,4-dihydro-2H-chromene-6-carbonyl)piperidine-4-carboxamide (CID 110693355) is 1-(3,4-dihydro-2H-chromene-6-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromene-6-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3,4-dihydro-2H-chromene-6-carbonyl)piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2ccc3c(c2)CCCO3)CC1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromene-6-carbonyl)piperidine-4-carboxamide?
The InChIKey is VSNHBXOFUJASHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c17-15(19)11-5-7-18(8-6-11)16(20)13-3-4-14-12(10-13)2-1-9-21-14/h3-4,10-11H,1-2,5-9H2,(H2,17,19).
What are the key properties of 1-(3,4-dihydro-2H-chromene-6-carbonyl)piperidine-4-carboxamide?
1-(3,4-dihydro-2H-chromene-6-carbonyl)piperidine-4-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromene-6-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 110693355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).