7-methoxy-6,8-diphenyl-2-piperidin-1-ylchromen-4-one

C27H25NO3 — CID 135052987

IUPAC7-methoxy-6,8-diphenyl-2-piperidin-1-ylchromen-4-one
SMILESCOc1c(-c2ccccc2)cc2c(=O)cc(N3CCCCC3)oc2c1-c1ccccc1
InChIInChI=1S/C27H25NO3/c1-30-26-21(19-11-5-2-6-12-19)17-22-23(29)18-24(28-15-9-4-10-16-28)31-27(22)25(26)20-13-7-3-8-14-20/h2-3,5-8,11-14,17-18H,4,9-10,15-16H2,1H3
InChIKeyWTMQRFHHVMPYTM-UHFFFAOYSA-N
MW411.50 g/mol
LogP6.13
Rot. Bonds4

About 7-methoxy-6,8-diphenyl-2-piperidin-1-ylchromen-4-one

7-methoxy-6,8-diphenyl-2-piperidin-1-ylchromen-4-one (PubChem CID 135052987) has the molecular formula C27H25NO3 and a molecular weight of 411.50 g/mol. Its IUPAC name is 7-methoxy-6,8-diphenyl-2-piperidin-1-ylchromen-4-one.

Molecular Properties

Compound Name7-methoxy-6,8-diphenyl-2-piperidin-1-ylchromen-4-one
PubChem CID135052987
Molecular FormulaC27H25NO3
Molecular Weight411.50 g/mol
Exact Mass411.18
IUPAC Name7-methoxy-6,8-diphenyl-2-piperidin-1-ylchromen-4-one
SMILESCOc1c(-c2ccccc2)cc2c(=O)cc(N3CCCCC3)oc2c1-c1ccccc1
InChIInChI=1S/C27H25NO3/c1-30-26-21(19-11-5-2-6-12-19)17-22-23(29)18-24(28-15-9-4-10-16-28)31-27(22)25(26)20-13-7-3-8-14-20/h2-3,5-8,11-14,17-18H,4,9-10,15-16H2,1H3
InChIKeyWTMQRFHHVMPYTM-UHFFFAOYSA-N
XLogP6.13
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.50
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-methyl-2-morpholin-4-yl-7-phenylchromen-4-one
CID 21460270
2-morpholin-4-yl-8-phenylchromen-4-one
CID 3973
8-phenyl-2-piperazin-1-ylchromen-4-one
CID 3971
8-(1-anilinoethyl)-6-methyl-2-piperidin-1-ylchromen-4-one
CID 166778749
6-methoxy-3-piperidin-1-ylbenzo[f]chromen-1-one
CID 135052964
4-(4-chlorophenyl)-3-methoxy-2-phenyl-6-piperidin-1-ylbenzonitrile
CID 11711116
7-methoxy-4-phenyl-2-piperidin-1-ylquinolin-1-ium
CID 9453959
8-(4-methoxy-9H-fluoren-1-yl)-2-morpholin-4-ylchromen-4-one
CID 59335353
methyl 2-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-phenylphenoxy]acetate
CID 58757664
5,8-dimethoxy-2-(4-methylpiperazin-1-yl)chromen-4-one
CID 12730612
2-(1,4-oxazepan-4-yl)benzo[h]chromen-4-one
CID 11208656
5,7,8-trimethoxy-3-phenylchromen-2-one
CID 134912099

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-6,8-diphenyl-2-piperidin-1-ylchromen-4-one?
The IUPAC name of 7-methoxy-6,8-diphenyl-2-piperidin-1-ylchromen-4-one (CID 135052987) is 7-methoxy-6,8-diphenyl-2-piperidin-1-ylchromen-4-one.
What is the SMILES notation for 7-methoxy-6,8-diphenyl-2-piperidin-1-ylchromen-4-one?
The canonical SMILES for 7-methoxy-6,8-diphenyl-2-piperidin-1-ylchromen-4-one is COc1c(-c2ccccc2)cc2c(=O)cc(N3CCCCC3)oc2c1-c1ccccc1.
What is the InChIKey of 7-methoxy-6,8-diphenyl-2-piperidin-1-ylchromen-4-one?
The InChIKey is WTMQRFHHVMPYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO3/c1-30-26-21(19-11-5-2-6-12-19)17-22-23(29)18-24(28-15-9-4-10-16-28)31-27(22)25(26)20-13-7-3-8-14-20/h2-3,5-8,11-14,17-18H,4,9-10,15-16H2,1H3.
What are the key properties of 7-methoxy-6,8-diphenyl-2-piperidin-1-ylchromen-4-one?
7-methoxy-6,8-diphenyl-2-piperidin-1-ylchromen-4-one has a molecular weight of 411.50 g/mol, XLogP of 6.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-6,8-diphenyl-2-piperidin-1-ylchromen-4-one is sourced from PubChem (CID 135052987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).