N-(3-chloro-4-fluorophenyl)-3-[1-(spiro[2.3]hexane-2-carbonyl)piperidin-4-yl]propanamide

C21H26ClFN2O2 — CID 45221518

IUPACN-(3-chloro-4-fluorophenyl)-3-[1-(spiro[2.3]hexane-2-carbonyl)piperidin-4-yl]propanamide
SMILESO=C(CCC1CCN(C(=O)C2CC23CCC3)CC1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C21H26ClFN2O2/c22-17-12-15(3-4-18(17)23)24-19(26)5-2-14-6-10-25(11-7-14)20(27)16-13-21(16)8-1-9-21/h3-4,12,14,16H,1-2,5-11,13H2,(H,24,26)
InChIKeyYNLJRPWGUIEAGS-UHFFFAOYSA-N
MW392.90 g/mol
LogP4.63
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-3-[1-(spiro[2.3]hexane-2-carbonyl)piperidin-4-yl]propanamide

N-(3-chloro-4-fluorophenyl)-3-[1-(spiro[2.3]hexane-2-carbonyl)piperidin-4-yl]propanamide (PubChem CID 45221518) has the molecular formula C21H26ClFN2O2 and a molecular weight of 392.90 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-[1-(spiro[2.3]hexane-2-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-[1-(spiro[2.3]hexane-2-carbonyl)piperidin-4-yl]propanamide
PubChem CID45221518
Molecular FormulaC21H26ClFN2O2
Molecular Weight392.90 g/mol
Exact Mass392.17
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-[1-(spiro[2.3]hexane-2-carbonyl)piperidin-4-yl]propanamide
SMILESO=C(CCC1CCN(C(=O)C2CC23CCC3)CC1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C21H26ClFN2O2/c22-17-12-15(3-4-18(17)23)24-19(26)5-2-14-6-10-25(11-7-14)20(27)16-13-21(16)8-1-9-21/h3-4,12,14,16H,1-2,5-11,13H2,(H,24,26)
InChIKeyYNLJRPWGUIEAGS-UHFFFAOYSA-N
XLogP4.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.90
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-[1-(spiro[2.3]hexane-2-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-[1-(spiro[2.3]hexane-2-carbonyl)piperidin-4-yl]propanamide (CID 45221518) is N-(3-chloro-4-fluorophenyl)-3-[1-(spiro[2.3]hexane-2-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-[1-(spiro[2.3]hexane-2-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-[1-(spiro[2.3]hexane-2-carbonyl)piperidin-4-yl]propanamide is O=C(CCC1CCN(C(=O)C2CC23CCC3)CC1)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-[1-(spiro[2.3]hexane-2-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is YNLJRPWGUIEAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClFN2O2/c22-17-12-15(3-4-18(17)23)24-19(26)5-2-14-6-10-25(11-7-14)20(27)16-13-21(16)8-1-9-21/h3-4,12,14,16H,1-2,5-11,13H2,(H,24,26).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-[1-(spiro[2.3]hexane-2-carbonyl)piperidin-4-yl]propanamide?
N-(3-chloro-4-fluorophenyl)-3-[1-(spiro[2.3]hexane-2-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 392.90 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-[1-(spiro[2.3]hexane-2-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 45221518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).