3-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]propanamide

C18H26N2O2 — CID 69202377

IUPAC3-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]propanamide
SMILESNC(=O)CCC1CCOc2cc(CN3CCCCC3)ccc21
InChIInChI=1S/C18H26N2O2/c19-18(21)7-5-15-8-11-22-17-12-14(4-6-16(15)17)13-20-9-2-1-3-10-20/h4,6,12,15H,1-3,5,7-11,13H2,(H2,19,21)
InChIKeyJCNVTAZUCQCUEP-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.80
Rot. Bonds5

About 3-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]propanamide

3-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]propanamide (PubChem CID 69202377) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 3-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]propanamide.

Molecular Properties

Compound Name3-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]propanamide
PubChem CID69202377
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name3-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]propanamide
SMILESNC(=O)CCC1CCOc2cc(CN3CCCCC3)ccc21
InChIInChI=1S/C18H26N2O2/c19-18(21)7-5-15-8-11-22-17-12-14(4-6-16(15)17)13-20-9-2-1-3-10-20/h4,6,12,15H,1-3,5,7-11,13H2,(H2,19,21)
InChIKeyJCNVTAZUCQCUEP-UHFFFAOYSA-N
XLogP2.80
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-chromen-7-ylmethyl)azocane
CID 142954380
(2S)-2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]-2-hydroxyacetamide
CID 129489011
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)piperidine-3-carboxylic acid
CID 65054433
(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 56594240
[1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 26315830
1-(1,3-benzodioxol-5-ylmethyl)azepane
CID 765340
2-(1-naphthalen-2-ylsulfonylpiperidin-2-yl)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 18448518
[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 883912
3-(naphthalen-2-ylsulfonylamino)-3-(3-phenoxyphenyl)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 68928838
(3R)-4-naphthalen-2-ylsulfonyl-3-phenyl-N-[(4R)-7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]butanamide
CID 11497939
2-[1-(benzenesulfonyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 74376403
bis[2-cyclopentyl-4-(piperidin-1-ylmethyl)phenyl]methanone
CID 73011712

Frequently Asked Questions

What is the IUPAC name of 3-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]propanamide?
The IUPAC name of 3-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]propanamide (CID 69202377) is 3-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]propanamide.
What is the SMILES notation for 3-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]propanamide?
The canonical SMILES for 3-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]propanamide is NC(=O)CCC1CCOc2cc(CN3CCCCC3)ccc21.
What is the InChIKey of 3-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]propanamide?
The InChIKey is JCNVTAZUCQCUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c19-18(21)7-5-15-8-11-22-17-12-14(4-6-16(15)17)13-20-9-2-1-3-10-20/h4,6,12,15H,1-3,5,7-11,13H2,(H2,19,21).
What are the key properties of 3-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]propanamide?
3-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]propanamide has a molecular weight of 302.42 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]propanamide is sourced from PubChem (CID 69202377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).