N-[1-(3-fluorophenyl)cyclopropyl]-3-piperidin-3-ylbutanamide;hydrochloride

C18H26ClFN2O — CID 119799463

IUPACN-[1-(3-fluorophenyl)cyclopropyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NC1(c2cccc(F)c2)CC1)C1CCCNC1.Cl
InChIInChI=1S/C18H25FN2O.ClH/c1-13(14-4-3-9-20-12-14)10-17(22)21-18(7-8-18)15-5-2-6-16(19)11-15;/h2,5-6,11,13-14,20H,3-4,7-10,12H2,1H3,(H,21,22);1H
InChIKeyWYGIXBNWQDOUPR-UHFFFAOYSA-N
MW340.87 g/mol
LogP3.38
Rot. Bonds5

About N-[1-(3-fluorophenyl)cyclopropyl]-3-piperidin-3-ylbutanamide;hydrochloride

N-[1-(3-fluorophenyl)cyclopropyl]-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119799463) has the molecular formula C18H26ClFN2O and a molecular weight of 340.87 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)cyclopropyl]-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)cyclopropyl]-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119799463
Molecular FormulaC18H26ClFN2O
Molecular Weight340.87 g/mol
Exact Mass340.17
IUPAC NameN-[1-(3-fluorophenyl)cyclopropyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NC1(c2cccc(F)c2)CC1)C1CCCNC1.Cl
InChIInChI=1S/C18H25FN2O.ClH/c1-13(14-4-3-9-20-12-14)10-17(22)21-18(7-8-18)15-5-2-6-16(19)11-15;/h2,5-6,11,13-14,20H,3-4,7-10,12H2,1H3,(H,21,22);1H
InChIKeyWYGIXBNWQDOUPR-UHFFFAOYSA-N
XLogP3.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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-[1-(3-fluorophenyl)cyclopropyl]-3-piperidin-4-ylbutanamide
CID 119799474
N-[1-(4-fluorophenyl)cyclopentyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119752707
N-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671066
N-[(3-fluorophenyl)-phenylmethyl]-3-piperidin-3-ylbutanamide
CID 119815265
N-(2,4-difluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119673275
N-[1-(2,6-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119716485
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-piperidin-3-ylbutanamide
CID 119761175
3-piperidin-4-yl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanamide
CID 119806424
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119745334
N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671636
N-[4-fluoro-2-(4-fluorophenyl)phenyl]-3-piperidin-3-ylbutanamide
CID 119771660
3-piperidin-3-yl-N-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119671265

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)cyclopropyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-[1-(3-fluorophenyl)cyclopropyl]-3-piperidin-3-ylbutanamide;hydrochloride (CID 119799463) is N-[1-(3-fluorophenyl)cyclopropyl]-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[1-(3-fluorophenyl)cyclopropyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-[1-(3-fluorophenyl)cyclopropyl]-3-piperidin-3-ylbutanamide;hydrochloride is CC(CC(=O)NC1(c2cccc(F)c2)CC1)C1CCCNC1.Cl.
What is the InChIKey of N-[1-(3-fluorophenyl)cyclopropyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is WYGIXBNWQDOUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O.ClH/c1-13(14-4-3-9-20-12-14)10-17(22)21-18(7-8-18)15-5-2-6-16(19)11-15;/h2,5-6,11,13-14,20H,3-4,7-10,12H2,1H3,(H,21,22);1H.
What are the key properties of N-[1-(3-fluorophenyl)cyclopropyl]-3-piperidin-3-ylbutanamide;hydrochloride?
N-[1-(3-fluorophenyl)cyclopropyl]-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 340.87 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)cyclopropyl]-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119799463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).