3-piperidin-1-yl-2-propoxychromen-4-one

C17H21NO3 — CID 157240425

IUPAC3-piperidin-1-yl-2-propoxychromen-4-one
SMILESCCCOc1oc2ccccc2c(=O)c1N1CCCCC1
InChIInChI=1S/C17H21NO3/c1-2-12-20-17-15(18-10-6-3-7-11-18)16(19)13-8-4-5-9-14(13)21-17/h4-5,8-9H,2-3,6-7,10-12H2,1H3
InChIKeyAVDKVKUTQBUQNI-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.57
Rot. Bonds4

About 3-piperidin-1-yl-2-propoxychromen-4-one

3-piperidin-1-yl-2-propoxychromen-4-one (PubChem CID 157240425) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-piperidin-1-yl-2-propoxychromen-4-one.

Molecular Properties

Compound Name3-piperidin-1-yl-2-propoxychromen-4-one
PubChem CID157240425
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name3-piperidin-1-yl-2-propoxychromen-4-one
SMILESCCCOc1oc2ccccc2c(=O)c1N1CCCCC1
InChIInChI=1S/C17H21NO3/c1-2-12-20-17-15(18-10-6-3-7-11-18)16(19)13-8-4-5-9-14(13)21-17/h4-5,8-9H,2-3,6-7,10-12H2,1H3
InChIKeyAVDKVKUTQBUQNI-UHFFFAOYSA-N
XLogP3.57
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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piperidin-1-yl-(3-piperidin-1-yl-1-benzofuran-2-yl)methanone
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propane;xanthen-9-one
CID 90876458
4-ethyl-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide
CID 50778807
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CID 24832216
4-piperidin-1-yl-1,3-benzoxazin-2-one
CID 11241695
2-(4-chlorophenyl)-3-(2-piperidin-1-ylethoxy)chromen-4-one
CID 39773615
4-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(pyrrolidin-1-ylmethyl)chromen-2-one
CID 23004569
3-phenyl-4-piperidin-1-yl-1-(3-propoxyphenyl)pyrrole-2,5-dione
CID 110558320
3-chloro-4-methyl-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide
CID 50778713
3-(2-methoxyphenyl)-4-piperidin-1-yl-1-(2-propoxyphenyl)pyrrole-2,5-dione
CID 110567397

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-2-propoxychromen-4-one?
The IUPAC name of 3-piperidin-1-yl-2-propoxychromen-4-one (CID 157240425) is 3-piperidin-1-yl-2-propoxychromen-4-one.
What is the SMILES notation for 3-piperidin-1-yl-2-propoxychromen-4-one?
The canonical SMILES for 3-piperidin-1-yl-2-propoxychromen-4-one is CCCOc1oc2ccccc2c(=O)c1N1CCCCC1.
What is the InChIKey of 3-piperidin-1-yl-2-propoxychromen-4-one?
The InChIKey is AVDKVKUTQBUQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-2-12-20-17-15(18-10-6-3-7-11-18)16(19)13-8-4-5-9-14(13)21-17/h4-5,8-9H,2-3,6-7,10-12H2,1H3.
What are the key properties of 3-piperidin-1-yl-2-propoxychromen-4-one?
3-piperidin-1-yl-2-propoxychromen-4-one has a molecular weight of 287.36 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-2-propoxychromen-4-one is sourced from PubChem (CID 157240425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).