2,3-dihydro-1-benzofuran-2-yl(piperidin-1-yl)methanone

C14H17NO2 — CID 2842480

IUPAC2,3-dihydro-1-benzofuran-2-yl(piperidin-1-yl)methanone
SMILESO=C(C1Cc2ccccc2O1)N1CCCCC1
InChIInChI=1S/C14H17NO2/c16-14(15-8-4-1-5-9-15)13-10-11-6-2-3-7-12(11)17-13/h2-3,6-7,13H,1,4-5,8-10H2
InChIKeyYGDQJLAWPAUWCP-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.00
Rot. Bonds1

About 2,3-dihydro-1-benzofuran-2-yl(piperidin-1-yl)methanone

2,3-dihydro-1-benzofuran-2-yl(piperidin-1-yl)methanone (PubChem CID 2842480) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-2-yl(piperidin-1-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-2-yl(piperidin-1-yl)methanone
PubChem CID2842480
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name2,3-dihydro-1-benzofuran-2-yl(piperidin-1-yl)methanone
SMILESO=C(C1Cc2ccccc2O1)N1CCCCC1
InChIInChI=1S/C14H17NO2/c16-14(15-8-4-1-5-9-15)13-10-11-6-2-3-7-12(11)17-13/h2-3,6-7,13H,1,4-5,8-10H2
InChIKeyYGDQJLAWPAUWCP-UHFFFAOYSA-N
XLogP2.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1-benzofuran-2-yl(piperazin-1-yl)methanone;hydrochloride
CID 119402574
1-(2,3-dihydro-1-benzofuran-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041903
[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 51238687
1-(2,3-dihydro-1-benzofuran-2-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63123309
(4-benzylpiperazin-1-yl)-[(2S)-2,3-dihydro-1-benzofuran-2-yl]methanone
CID 9071498
2-[4-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]-1,4-diazepan-1-yl]benzonitrile
CID 95596053
(4-benzylpiperazin-1-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanone;hydrochloride
CID 10316388
[4-(benzenesulfonyl)piperazin-1-yl]-[(2S)-2,3-dihydro-1-benzofuran-2-yl]methanone
CID 9087045
2,3-dihydro-1-benzofuran-2-yl-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304626
[(3S)-3-aminopyrrolidin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone;hydrochloride
CID 119934449
[(2S)-2,3-dihydro-1-benzofuran-2-yl]-(3-pyridin-4-ylazetidin-1-yl)methanone
CID 95712640
1-[4-(2,3-dihydro-1-benzofuran-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55496718

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-2-yl(piperidin-1-yl)methanone?
The IUPAC name of 2,3-dihydro-1-benzofuran-2-yl(piperidin-1-yl)methanone (CID 2842480) is 2,3-dihydro-1-benzofuran-2-yl(piperidin-1-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-2-yl(piperidin-1-yl)methanone?
The canonical SMILES for 2,3-dihydro-1-benzofuran-2-yl(piperidin-1-yl)methanone is O=C(C1Cc2ccccc2O1)N1CCCCC1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-2-yl(piperidin-1-yl)methanone?
The InChIKey is YGDQJLAWPAUWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c16-14(15-8-4-1-5-9-15)13-10-11-6-2-3-7-12(11)17-13/h2-3,6-7,13H,1,4-5,8-10H2.
What are the key properties of 2,3-dihydro-1-benzofuran-2-yl(piperidin-1-yl)methanone?
2,3-dihydro-1-benzofuran-2-yl(piperidin-1-yl)methanone has a molecular weight of 231.30 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-2-yl(piperidin-1-yl)methanone is sourced from PubChem (CID 2842480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).