N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-piperidin-3-ylbutanamide;hydrochloride

C18H26ClFN2O — CID 119745334

IUPACN-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NC1CCc2cc(F)ccc21)C1CCCNC1.Cl
InChIInChI=1S/C18H25FN2O.ClH/c1-12(14-3-2-8-20-11-14)9-18(22)21-17-7-4-13-10-15(19)5-6-16(13)17;/h5-6,10,12,14,17,20H,2-4,7-9,11H2,1H3,(H,21,22);1H
InChIKeyBPKQYEDUGLMPFY-UHFFFAOYSA-N
MW340.87 g/mol
LogP3.38
Rot. Bonds4

About N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-piperidin-3-ylbutanamide;hydrochloride

N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119745334) has the molecular formula C18H26ClFN2O and a molecular weight of 340.87 g/mol. Its IUPAC name is N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119745334
Molecular FormulaC18H26ClFN2O
Molecular Weight340.87 g/mol
Exact Mass340.17
IUPAC NameN-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NC1CCc2cc(F)ccc21)C1CCCNC1.Cl
InChIInChI=1S/C18H25FN2O.ClH/c1-12(14-3-2-8-20-11-14)9-18(22)21-17-7-4-13-10-15(19)5-6-16(13)17;/h5-6,10,12,14,17,20H,2-4,7-9,11H2,1H3,(H,21,22);1H
InChIKeyBPKQYEDUGLMPFY-UHFFFAOYSA-N
XLogP3.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.87
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1H-inden-1-yl)-3-piperidin-3-ylbutanamide
CID 81047550
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119695811
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-piperidin-3-ylbutanamide
CID 119695812
3-amino-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)butanamide
CID 119745353
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)piperidine-3-carboxamide;hydrochloride
CID 119301428
N-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671066
N-(2,4-difluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119673275
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119744290
3-piperidin-3-yl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide
CID 81048858
(3R)-N-[(1R,2R)-2-(4-fluorophenyl)cyclopentyl]-3-[(3S)-piperidin-3-yl]butanamide
CID 100652811
N-[4-fluoro-2-(4-fluorophenyl)phenyl]-3-piperidin-3-ylbutanamide
CID 119771660
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-piperidin-3-ylbutanamide
CID 119761175

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-piperidin-3-ylbutanamide;hydrochloride (CID 119745334) is N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-piperidin-3-ylbutanamide;hydrochloride is CC(CC(=O)NC1CCc2cc(F)ccc21)C1CCCNC1.Cl.
What is the InChIKey of N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is BPKQYEDUGLMPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O.ClH/c1-12(14-3-2-8-20-11-14)9-18(22)21-17-7-4-13-10-15(19)5-6-16(13)17;/h5-6,10,12,14,17,20H,2-4,7-9,11H2,1H3,(H,21,22);1H.
What are the key properties of N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-piperidin-3-ylbutanamide;hydrochloride?
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 340.87 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119745334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).