(4-benzylpiperidin-1-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone

C24H23NO2S — CID 20877862

IUPAC(4-benzylpiperidin-1-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone
SMILESO=C(c1cc2c(s1)-c1ccccc1OC2)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C24H23NO2S/c26-24(25-12-10-18(11-13-25)14-17-6-2-1-3-7-17)22-15-19-16-27-21-9-5-4-8-20(21)23(19)28-22/h1-9,15,18H,10-14,16H2
InChIKeyACLGFTXJKNPEKL-UHFFFAOYSA-N
MW389.52 g/mol
LogP5.40
Rot. Bonds3

About (4-benzylpiperidin-1-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone

(4-benzylpiperidin-1-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone (PubChem CID 20877862) has the molecular formula C24H23NO2S and a molecular weight of 389.52 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone
PubChem CID20877862
Molecular FormulaC24H23NO2S
Molecular Weight389.52 g/mol
Exact Mass389.14
IUPAC Name(4-benzylpiperidin-1-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone
SMILESO=C(c1cc2c(s1)-c1ccccc1OC2)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C24H23NO2S/c26-24(25-12-10-18(11-13-25)14-17-6-2-1-3-7-17)22-15-19-16-27-21-9-5-4-8-20(21)23(19)28-22/h1-9,15,18H,10-14,16H2
InChIKeyACLGFTXJKNPEKL-UHFFFAOYSA-N
XLogP5.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.52
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylmorpholin-4-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone
CID 17466146
4H-thieno[3,2-c]chromene-2-carboxylate
CID 2113887
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 18104061
9H-fluoren-9-yl 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7253140
[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 41228103
N-[2-(furan-2-carbonylamino)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 134046907
N'-[2-(4-fluorophenyl)acetyl]-4H-thieno[3,2-c]chromene-2-carbohydrazide
CID 31725309
[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7715785
[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 27265870
5-[(3R)-3-benzylpyrrolidine-1-carbonyl]thiophene-2-carboxylic acid
CID 124701503
(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone
CID 46095961

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone (CID 20877862) is (4-benzylpiperidin-1-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone is O=C(c1cc2c(s1)-c1ccccc1OC2)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone?
The InChIKey is ACLGFTXJKNPEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2S/c26-24(25-12-10-18(11-13-25)14-17-6-2-1-3-7-17)22-15-19-16-27-21-9-5-4-8-20(21)23(19)28-22/h1-9,15,18H,10-14,16H2.
What are the key properties of (4-benzylpiperidin-1-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone?
(4-benzylpiperidin-1-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone has a molecular weight of 389.52 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone is sourced from PubChem (CID 20877862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).