4-bromo-2-fluoro-6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]benzamide

C17H23BrFN3O2 — CID 133441512

IUPAC4-bromo-2-fluoro-6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]benzamide
SMILESNC(=O)c1c(F)cc(Br)cc1N1CCCC(CN2CCOCC2)C1
InChIInChI=1S/C17H23BrFN3O2/c18-13-8-14(19)16(17(20)23)15(9-13)22-3-1-2-12(11-22)10-21-4-6-24-7-5-21/h8-9,12H,1-7,10-11H2,(H2,20,23)
InChIKeyFPISKIVYPTUWNQ-UHFFFAOYSA-N
MW400.29 g/mol
LogP2.24
Rot. Bonds4

About 4-bromo-2-fluoro-6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]benzamide

4-bromo-2-fluoro-6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]benzamide (PubChem CID 133441512) has the molecular formula C17H23BrFN3O2 and a molecular weight of 400.29 g/mol. Its IUPAC name is 4-bromo-2-fluoro-6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]benzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]benzamide
PubChem CID133441512
Molecular FormulaC17H23BrFN3O2
Molecular Weight400.29 g/mol
Exact Mass399.10
IUPAC Name4-bromo-2-fluoro-6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]benzamide
SMILESNC(=O)c1c(F)cc(Br)cc1N1CCCC(CN2CCOCC2)C1
InChIInChI=1S/C17H23BrFN3O2/c18-13-8-14(19)16(17(20)23)15(9-13)22-3-1-2-12(11-22)10-21-4-6-24-7-5-21/h8-9,12H,1-7,10-11H2,(H2,20,23)
InChIKeyFPISKIVYPTUWNQ-UHFFFAOYSA-N
XLogP2.24
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(morpholin-4-ylmethyl)piperidin-1-yl]pyridine-4-carboxamide
CID 71996494
4-bromo-2-fluoro-6-[4-(oxan-4-yloxy)piperidin-1-yl]benzamide
CID 133441567
4-[[(3S)-1-(4-bromo-2-pyridinyl)piperidin-3-yl]methyl]morpholine
CID 99855918
4-bromo-2-fluoro-6-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]benzamide
CID 133441421
4-bromo-2-fluoro-6-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]benzamide
CID 133441347
4-[[1-(6-bromoquinolin-4-yl)piperidin-3-yl]methyl]morpholine
CID 133322304
methyl 6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]pyridazine-3-carboxylate
CID 133322299
4-bromo-2-fluoro-6-[4-(3-hydroxybenzoyl)piperazin-1-yl]benzamide
CID 133441367
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-4-bromo-6-fluorobenzamide
CID 133440629
(4-bromo-2,6-difluorophenyl)-[3-(2-bromoethyl)piperidin-1-yl]methanone
CID 80668874
4-[[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine
CID 133302102
4-bromo-2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-6-fluorobenzamide
CID 133441348

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]benzamide?
The IUPAC name of 4-bromo-2-fluoro-6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]benzamide (CID 133441512) is 4-bromo-2-fluoro-6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]benzamide.
What is the SMILES notation for 4-bromo-2-fluoro-6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]benzamide?
The canonical SMILES for 4-bromo-2-fluoro-6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]benzamide is NC(=O)c1c(F)cc(Br)cc1N1CCCC(CN2CCOCC2)C1.
What is the InChIKey of 4-bromo-2-fluoro-6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]benzamide?
The InChIKey is FPISKIVYPTUWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrFN3O2/c18-13-8-14(19)16(17(20)23)15(9-13)22-3-1-2-12(11-22)10-21-4-6-24-7-5-21/h8-9,12H,1-7,10-11H2,(H2,20,23).
What are the key properties of 4-bromo-2-fluoro-6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]benzamide?
4-bromo-2-fluoro-6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]benzamide has a molecular weight of 400.29 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]benzamide is sourced from PubChem (CID 133441512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).