N-[1-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]azetidin-3-yl]piperidin-4-yl]-3-methoxybenzamide

C27H31FN4O4 — CID 175910989

IUPACN-[1-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]azetidin-3-yl]piperidin-4-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2CCN(C3CN(c4ccc(C5CCC(=O)NC5=O)cc4F)C3)CC2)c1
InChIInChI=1S/C27H31FN4O4/c1-36-21-4-2-3-18(13-21)26(34)29-19-9-11-31(12-10-19)20-15-32(16-20)24-7-5-17(14-23(24)28)22-6-8-25(33)30-27(22)35/h2-5,7,13-14,19-20,22H,6,8-12,15-16H2,1H3,(H,29,34)(H,30,33,35)
InChIKeyDBZRZNYXNXISDC-UHFFFAOYSA-N
MW494.57 g/mol
LogP2.44
Rot. Bonds6

About N-[1-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]azetidin-3-yl]piperidin-4-yl]-3-methoxybenzamide

N-[1-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]azetidin-3-yl]piperidin-4-yl]-3-methoxybenzamide (PubChem CID 175910989) has the molecular formula C27H31FN4O4 and a molecular weight of 494.57 g/mol. Its IUPAC name is N-[1-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]azetidin-3-yl]piperidin-4-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]azetidin-3-yl]piperidin-4-yl]-3-methoxybenzamide
PubChem CID175910989
Molecular FormulaC27H31FN4O4
Molecular Weight494.57 g/mol
Exact Mass494.23
IUPAC NameN-[1-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]azetidin-3-yl]piperidin-4-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2CCN(C3CN(c4ccc(C5CCC(=O)NC5=O)cc4F)C3)CC2)c1
InChIInChI=1S/C27H31FN4O4/c1-36-21-4-2-3-18(13-21)26(34)29-19-9-11-31(12-10-19)20-15-32(16-20)24-7-5-17(14-23(24)28)22-6-8-25(33)30-27(22)35/h2-5,7,13-14,19-20,22H,6,8-12,15-16H2,1H3,(H,29,34)(H,30,33,35)
InChIKeyDBZRZNYXNXISDC-UHFFFAOYSA-N
XLogP2.44
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.57
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[7-[2-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]-3-methylpyrrolidin-3-yl]ethyl]-7-azaspiro[3.5]nonan-2-yl]-3-methoxybenzamide
CID 175912021
4-[(4-cyclopentyl-6,6-difluoro-1,2-dimethyl-7-oxo-5H-1,4-diazepin-3-yl)iminomethylamino]-N-[1-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]azetidin-3-yl]piperidin-4-yl]-3-methoxybenzamide
CID 174041618
tert-butyl N-[4-[[(2S)-4-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]-2-methylpiperazin-1-yl]methyl]cyclohexyl]carbamate
CID 170953663
N-cyclopropyl-3-methoxybenzamide
CID 900156
3-[4-[2-(4-aminopiperidin-1-yl)-7-azaspiro[3.5]nonan-7-yl]-3-fluorophenyl]piperidine-2,6-dione
CID 167463156
3-[4-[4-[[(4-aminocyclohexyl)methylamino]methyl]piperidin-1-yl]-3-fluorophenyl]piperidine-2,6-dione
CID 167463189
3-methoxy-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 71784695
N-[7-[[1-[4-(2,6-dioxopiperidin-3-yl)-3-methoxyphenyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]-3-methoxybenzamide
CID 175912018
3-[4-[4-[(ethenylamino)methyl]piperidin-1-yl]-3-fluorophenyl]piperidine-2,6-dione
CID 178116403
3-methoxy-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide
CID 134099115
N-[7-[[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]-2-fluoro-5-methylbenzamide
CID 175911995
N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-3-methoxybenzamide
CID 24830372

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]azetidin-3-yl]piperidin-4-yl]-3-methoxybenzamide?
The IUPAC name of N-[1-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]azetidin-3-yl]piperidin-4-yl]-3-methoxybenzamide (CID 175910989) is N-[1-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]azetidin-3-yl]piperidin-4-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[1-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]azetidin-3-yl]piperidin-4-yl]-3-methoxybenzamide?
The canonical SMILES for N-[1-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]azetidin-3-yl]piperidin-4-yl]-3-methoxybenzamide is COc1cccc(C(=O)NC2CCN(C3CN(c4ccc(C5CCC(=O)NC5=O)cc4F)C3)CC2)c1.
What is the InChIKey of N-[1-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]azetidin-3-yl]piperidin-4-yl]-3-methoxybenzamide?
The InChIKey is DBZRZNYXNXISDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN4O4/c1-36-21-4-2-3-18(13-21)26(34)29-19-9-11-31(12-10-19)20-15-32(16-20)24-7-5-17(14-23(24)28)22-6-8-25(33)30-27(22)35/h2-5,7,13-14,19-20,22H,6,8-12,15-16H2,1H3,(H,29,34)(H,30,33,35).
What are the key properties of N-[1-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]azetidin-3-yl]piperidin-4-yl]-3-methoxybenzamide?
N-[1-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]azetidin-3-yl]piperidin-4-yl]-3-methoxybenzamide has a molecular weight of 494.57 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]azetidin-3-yl]piperidin-4-yl]-3-methoxybenzamide is sourced from PubChem (CID 175910989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).