piperidin-1-yl-(2,3,6,7-tetramethoxyphenanthren-9-yl)methanone

C24H27NO5 — CID 66561042

IUPACpiperidin-1-yl-(2,3,6,7-tetramethoxyphenanthren-9-yl)methanone
SMILESCOc1cc2cc(C(=O)N3CCCCC3)c3cc(OC)c(OC)cc3c2cc1OC
InChIInChI=1S/C24H27NO5/c1-27-20-11-15-10-19(24(26)25-8-6-5-7-9-25)18-14-23(30-4)22(29-3)13-17(18)16(15)12-21(20)28-2/h10-14H,5-9H2,1-4H3
InChIKeyXIGKBANGUJEUJS-UHFFFAOYSA-N
MW409.48 g/mol
LogP4.65
Rot. Bonds5

About piperidin-1-yl-(2,3,6,7-tetramethoxyphenanthren-9-yl)methanone

piperidin-1-yl-(2,3,6,7-tetramethoxyphenanthren-9-yl)methanone (PubChem CID 66561042) has the molecular formula C24H27NO5 and a molecular weight of 409.48 g/mol. Its IUPAC name is piperidin-1-yl-(2,3,6,7-tetramethoxyphenanthren-9-yl)methanone.

Molecular Properties

Compound Namepiperidin-1-yl-(2,3,6,7-tetramethoxyphenanthren-9-yl)methanone
PubChem CID66561042
Molecular FormulaC24H27NO5
Molecular Weight409.48 g/mol
Exact Mass409.19
IUPAC Namepiperidin-1-yl-(2,3,6,7-tetramethoxyphenanthren-9-yl)methanone
SMILESCOc1cc2cc(C(=O)N3CCCCC3)c3cc(OC)c(OC)cc3c2cc1OC
InChIInChI=1S/C24H27NO5/c1-27-20-11-15-10-19(24(26)25-8-6-5-7-9-25)18-14-23(30-4)22(29-3)13-17(18)16(15)12-21(20)28-2/h10-14H,5-9H2,1-4H3
InChIKeyXIGKBANGUJEUJS-UHFFFAOYSA-N
XLogP4.65
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

(2-bromo-4,5-dimethoxyphenyl)-piperidin-1-ylmethanone
CID 172646588
(5-amino-2,3-dimethoxyphenyl)-piperidin-1-ylmethanone
CID 82183619
(5-amino-2,3-dimethoxyphenyl)-(azepan-1-yl)methanone
CID 82183793
azepan-1-yl-(4-methoxy-2,3-dimethylphenyl)methanone
CID 110763192
azocan-1-yl-(2,3,4-trimethoxyphenyl)methanone
CID 78771101
(5-chloro-2-methoxy-4-methylphenyl)-piperidin-1-ylmethanone
CID 110762027
(4-amino-5-chloro-2-methoxyphenyl)-piperidin-1-ylmethanone
CID 110465007
(4-bromo-2-methoxyphenyl)-piperidin-1-ylmethanone
CID 78988655
(5-tert-butyl-2-methoxyphenyl)-pyrrolidin-1-ylmethanone
CID 50882718
(3S)-1-(2,4,5-trimethoxybenzoyl)piperidine-3-carboxylic acid
CID 119113499
6,7-dimethoxy-2-(6-methoxy-1H-indol-4-yl)-4-(piperidine-1-carbonyl)isoquinolin-1-one
CID 175938805
3-(azocane-1-carbonyl)-8-methoxychromen-2-one
CID 6471057

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-(2,3,6,7-tetramethoxyphenanthren-9-yl)methanone?
The IUPAC name of piperidin-1-yl-(2,3,6,7-tetramethoxyphenanthren-9-yl)methanone (CID 66561042) is piperidin-1-yl-(2,3,6,7-tetramethoxyphenanthren-9-yl)methanone.
What is the SMILES notation for piperidin-1-yl-(2,3,6,7-tetramethoxyphenanthren-9-yl)methanone?
The canonical SMILES for piperidin-1-yl-(2,3,6,7-tetramethoxyphenanthren-9-yl)methanone is COc1cc2cc(C(=O)N3CCCCC3)c3cc(OC)c(OC)cc3c2cc1OC.
What is the InChIKey of piperidin-1-yl-(2,3,6,7-tetramethoxyphenanthren-9-yl)methanone?
The InChIKey is XIGKBANGUJEUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO5/c1-27-20-11-15-10-19(24(26)25-8-6-5-7-9-25)18-14-23(30-4)22(29-3)13-17(18)16(15)12-21(20)28-2/h10-14H,5-9H2,1-4H3.
What are the key properties of piperidin-1-yl-(2,3,6,7-tetramethoxyphenanthren-9-yl)methanone?
piperidin-1-yl-(2,3,6,7-tetramethoxyphenanthren-9-yl)methanone has a molecular weight of 409.48 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-(2,3,6,7-tetramethoxyphenanthren-9-yl)methanone is sourced from PubChem (CID 66561042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).