N-[2-[1-(3-bromo-5-fluoro-2-pyridinyl)piperidin-3-yl]ethyl]-N-(4-hydroxycyclohexyl)formamide

C19H27BrFN3O2 — CID 143229509

IUPACN-[2-[1-(3-bromo-5-fluoro-2-pyridinyl)piperidin-3-yl]ethyl]-N-(4-hydroxycyclohexyl)formamide
SMILESO=CN(CCC1CCCN(c2ncc(F)cc2Br)C1)C1CCC(O)CC1
InChIInChI=1S/C19H27BrFN3O2/c20-18-10-15(21)11-22-19(18)23-8-1-2-14(12-23)7-9-24(13-25)16-3-5-17(26)6-4-16/h10-11,13-14,16-17,26H,1-9,12H2
InChIKeyANMCUQNVWCCDEL-UHFFFAOYSA-N
MW428.35 g/mol
LogP3.35
Rot. Bonds6

About N-[2-[1-(3-bromo-5-fluoro-2-pyridinyl)piperidin-3-yl]ethyl]-N-(4-hydroxycyclohexyl)formamide

N-[2-[1-(3-bromo-5-fluoro-2-pyridinyl)piperidin-3-yl]ethyl]-N-(4-hydroxycyclohexyl)formamide (PubChem CID 143229509) has the molecular formula C19H27BrFN3O2 and a molecular weight of 428.35 g/mol. Its IUPAC name is N-[2-[1-(3-bromo-5-fluoro-2-pyridinyl)piperidin-3-yl]ethyl]-N-(4-hydroxycyclohexyl)formamide.

Molecular Properties

Compound NameN-[2-[1-(3-bromo-5-fluoro-2-pyridinyl)piperidin-3-yl]ethyl]-N-(4-hydroxycyclohexyl)formamide
PubChem CID143229509
Molecular FormulaC19H27BrFN3O2
Molecular Weight428.35 g/mol
Exact Mass427.13
IUPAC NameN-[2-[1-(3-bromo-5-fluoro-2-pyridinyl)piperidin-3-yl]ethyl]-N-(4-hydroxycyclohexyl)formamide
SMILESO=CN(CCC1CCCN(c2ncc(F)cc2Br)C1)C1CCC(O)CC1
InChIInChI=1S/C19H27BrFN3O2/c20-18-10-15(21)11-22-19(18)23-8-1-2-14(12-23)7-9-24(13-25)16-3-5-17(26)6-4-16/h10-11,13-14,16-17,26H,1-9,12H2
InChIKeyANMCUQNVWCCDEL-UHFFFAOYSA-N
XLogP3.35
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(3-bromo-5-fluoro-2-pyridinyl)piperidin-3-yl]ethyl]-N-(4-hydroxycyclohexyl)formamide?
The IUPAC name of N-[2-[1-(3-bromo-5-fluoro-2-pyridinyl)piperidin-3-yl]ethyl]-N-(4-hydroxycyclohexyl)formamide (CID 143229509) is N-[2-[1-(3-bromo-5-fluoro-2-pyridinyl)piperidin-3-yl]ethyl]-N-(4-hydroxycyclohexyl)formamide.
What is the SMILES notation for N-[2-[1-(3-bromo-5-fluoro-2-pyridinyl)piperidin-3-yl]ethyl]-N-(4-hydroxycyclohexyl)formamide?
The canonical SMILES for N-[2-[1-(3-bromo-5-fluoro-2-pyridinyl)piperidin-3-yl]ethyl]-N-(4-hydroxycyclohexyl)formamide is O=CN(CCC1CCCN(c2ncc(F)cc2Br)C1)C1CCC(O)CC1.
What is the InChIKey of N-[2-[1-(3-bromo-5-fluoro-2-pyridinyl)piperidin-3-yl]ethyl]-N-(4-hydroxycyclohexyl)formamide?
The InChIKey is ANMCUQNVWCCDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27BrFN3O2/c20-18-10-15(21)11-22-19(18)23-8-1-2-14(12-23)7-9-24(13-25)16-3-5-17(26)6-4-16/h10-11,13-14,16-17,26H,1-9,12H2.
What are the key properties of N-[2-[1-(3-bromo-5-fluoro-2-pyridinyl)piperidin-3-yl]ethyl]-N-(4-hydroxycyclohexyl)formamide?
N-[2-[1-(3-bromo-5-fluoro-2-pyridinyl)piperidin-3-yl]ethyl]-N-(4-hydroxycyclohexyl)formamide has a molecular weight of 428.35 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(3-bromo-5-fluoro-2-pyridinyl)piperidin-3-yl]ethyl]-N-(4-hydroxycyclohexyl)formamide is sourced from PubChem (CID 143229509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).