piperidin-1-yl(9H-xanthen-9-yl)methanone

C19H19NO2 — CID 718134

IUPACpiperidin-1-yl(9H-xanthen-9-yl)methanone
SMILESO=C(C1c2ccccc2Oc2ccccc21)N1CCCCC1
InChIInChI=1S/C19H19NO2/c21-19(20-12-6-1-7-13-20)18-14-8-2-4-10-16(14)22-17-11-5-3-9-15(17)18/h2-5,8-11,18H,1,6-7,12-13H2
InChIKeyPDKJTZPBKHXUOB-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.94
Rot. Bonds1

About piperidin-1-yl(9H-xanthen-9-yl)methanone

piperidin-1-yl(9H-xanthen-9-yl)methanone (PubChem CID 718134) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is piperidin-1-yl(9H-xanthen-9-yl)methanone.

Molecular Properties

Compound Namepiperidin-1-yl(9H-xanthen-9-yl)methanone
PubChem CID718134
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Namepiperidin-1-yl(9H-xanthen-9-yl)methanone
SMILESO=C(C1c2ccccc2Oc2ccccc21)N1CCCCC1
InChIInChI=1S/C19H19NO2/c21-19(20-12-6-1-7-13-20)18-14-8-2-4-10-16(14)22-17-11-5-3-9-15(17)18/h2-5,8-11,18H,1,6-7,12-13H2
InChIKeyPDKJTZPBKHXUOB-UHFFFAOYSA-N
XLogP3.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9H-Xanthene-9-carboxamide
CID 725576
Xanthene-9-carboxylic acid, 3-quinuclidinyl ester, hydrochloride
CID 207081
(3R)-1-Azabicyclo[2.2.2]oct-3-yl9H-xanthene-9-carboxylate
CID 939077
[(3R)-1-(2-phenylethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 9H-xanthene-9-carboxylate bromide
CID 11569907
(3R)-1-(3-phenoxypropyl)-3-[(9H-xanthen-9-ylcarbonyl)amino]-1-azoniabicyclo[2.2.2]octane bromide
CID 11678377
Spiro[chroman-2,4'-piperidin]-1'-yl(4-(trifluoromethyl)phenyl)methanone
CID 44583353
N-tert-butyl-9H-xanthene-9-carboxamide
CID 718106
N-(3-methoxypropyl)-9H-xanthene-9-carboxamide
CID 1928115
N-butyl-9H-xanthene-9-carboxamide
CID 1928177
N-(1-methoxypropan-2-yl)-9H-xanthene-9-carboxamide
CID 2905426
N,N-diethyl-9H-xanthene-9-carboxamide
CID 669620
N-benzyl-9H-xanthene-9-carboxamide
CID 718110

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl(9H-xanthen-9-yl)methanone?
The IUPAC name of piperidin-1-yl(9H-xanthen-9-yl)methanone (CID 718134) is piperidin-1-yl(9H-xanthen-9-yl)methanone.
What is the SMILES notation for piperidin-1-yl(9H-xanthen-9-yl)methanone?
The canonical SMILES for piperidin-1-yl(9H-xanthen-9-yl)methanone is O=C(C1c2ccccc2Oc2ccccc21)N1CCCCC1.
What is the InChIKey of piperidin-1-yl(9H-xanthen-9-yl)methanone?
The InChIKey is PDKJTZPBKHXUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c21-19(20-12-6-1-7-13-20)18-14-8-2-4-10-16(14)22-17-11-5-3-9-15(17)18/h2-5,8-11,18H,1,6-7,12-13H2.
What are the key properties of piperidin-1-yl(9H-xanthen-9-yl)methanone?
piperidin-1-yl(9H-xanthen-9-yl)methanone has a molecular weight of 293.37 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl(9H-xanthen-9-yl)methanone is sourced from PubChem (CID 718134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).