N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride

C15H21Cl2FN2O — CID 119673989

IUPACN-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)Nc1ccc(Cl)cc1F)C1CCNCC1.Cl
InChIInChI=1S/C15H20ClFN2O.ClH/c1-10(11-4-6-18-7-5-11)8-15(20)19-14-3-2-12(16)9-13(14)17;/h2-3,9-11,18H,4-8H2,1H3,(H,19,20);1H
InChIKeyBUJZBINBQAVALO-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.87
Rot. Bonds4

About N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride

N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119673989) has the molecular formula C15H21Cl2FN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119673989
Molecular FormulaC15H21Cl2FN2O
Molecular Weight335.25 g/mol
Exact Mass334.10
IUPAC NameN-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)Nc1ccc(Cl)cc1F)C1CCNCC1.Cl
InChIInChI=1S/C15H20ClFN2O.ClH/c1-10(11-4-6-18-7-5-11)8-15(20)19-14-3-2-12(16)9-13(14)17;/h2-3,9-11,18H,4-8H2,1H3,(H,19,20);1H
InChIKeyBUJZBINBQAVALO-UHFFFAOYSA-N
XLogP3.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide
CID 119673990
N-(4-bromo-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119673449
N-(2-acetamido-5-chlorophenyl)-3-piperidin-4-ylbutanamide
CID 119757165
N-(2-acetamido-4-chlorophenyl)-3-piperidin-4-ylbutanamide
CID 119760872
N-(2-acetamido-4,5-difluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119757485
4-chloro-2-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide
CID 119713086
N-(3-chlorophenyl)-3-piperidin-4-ylbutanamide
CID 119671037
N-(2,4-difluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119673275
N-[2-acetamido-5-(trifluoromethyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119707018
N-(4-iodo-2-methylphenyl)-3-piperidin-4-ylbutanamide
CID 119672088
N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119743221
3-piperidin-4-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride
CID 119672812

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride (CID 119673989) is N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride is CC(CC(=O)Nc1ccc(Cl)cc1F)C1CCNCC1.Cl.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is BUJZBINBQAVALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2O.ClH/c1-10(11-4-6-18-7-5-11)8-15(20)19-14-3-2-12(16)9-13(14)17;/h2-3,9-11,18H,4-8H2,1H3,(H,19,20);1H.
What are the key properties of N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride?
N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 335.25 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119673989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).