3-piperidin-3-yl-N-[4-(trifluoromethyl)cyclohexyl]butanamide;hydrochloride

C16H28ClF3N2O — CID 119701805

IUPAC3-piperidin-3-yl-N-[4-(trifluoromethyl)cyclohexyl]butanamide;hydrochloride
SMILESCC(CC(=O)NC1CCC(C(F)(F)F)CC1)C1CCCNC1.Cl
InChIInChI=1S/C16H27F3N2O.ClH/c1-11(12-3-2-8-20-10-12)9-15(22)21-14-6-4-13(5-7-14)16(17,18)19;/h11-14,20H,2-10H2,1H3,(H,21,22);1H
InChIKeyWMSJIPCQFMOQCY-UHFFFAOYSA-N
MW356.86 g/mol
LogP3.67
Rot. Bonds4

About 3-piperidin-3-yl-N-[4-(trifluoromethyl)cyclohexyl]butanamide;hydrochloride

3-piperidin-3-yl-N-[4-(trifluoromethyl)cyclohexyl]butanamide;hydrochloride (PubChem CID 119701805) has the molecular formula C16H28ClF3N2O and a molecular weight of 356.86 g/mol. Its IUPAC name is 3-piperidin-3-yl-N-[4-(trifluoromethyl)cyclohexyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-piperidin-3-yl-N-[4-(trifluoromethyl)cyclohexyl]butanamide;hydrochloride
PubChem CID119701805
Molecular FormulaC16H28ClF3N2O
Molecular Weight356.86 g/mol
Exact Mass356.18
IUPAC Name3-piperidin-3-yl-N-[4-(trifluoromethyl)cyclohexyl]butanamide;hydrochloride
SMILESCC(CC(=O)NC1CCC(C(F)(F)F)CC1)C1CCCNC1.Cl
InChIInChI=1S/C16H27F3N2O.ClH/c1-11(12-3-2-8-20-10-12)9-15(22)21-14-6-4-13(5-7-14)16(17,18)19;/h11-14,20H,2-10H2,1H3,(H,21,22);1H
InChIKeyWMSJIPCQFMOQCY-UHFFFAOYSA-N
XLogP3.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-hydroxycyclohexyl)-3-piperidin-3-ylbutanamide
CID 81043560
N-(4-methylcyclohexyl)-3-piperidin-3-ylbutanamide
CID 81044327
N-(1,1-dioxothian-4-yl)-3-piperidin-3-ylbutanamide
CID 81044428
N-(1-cyclopropylpiperidin-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119840395
N-[3-(cyclopropylamino)-3-oxopropyl]-3-piperidin-3-ylbutanamide
CID 81044384
N-[4-(cyclopropylamino)-4-oxobutyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119728333
3-piperidin-3-yl-N-(1-propylpiperidin-4-yl)butanamide
CID 81048676
N-(cyclobutylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119724147
N-(oxan-3-yl)-3-piperidin-3-ylbutanamide
CID 81043949
N-(1-methylpiperidin-3-yl)-3-piperidin-3-ylbutanamide
CID 81043754
N-(1,2-dimethylpiperidin-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119886287
N-(3-cyclohexylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119724260

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-N-[4-(trifluoromethyl)cyclohexyl]butanamide;hydrochloride?
The IUPAC name of 3-piperidin-3-yl-N-[4-(trifluoromethyl)cyclohexyl]butanamide;hydrochloride (CID 119701805) is 3-piperidin-3-yl-N-[4-(trifluoromethyl)cyclohexyl]butanamide;hydrochloride.
What is the SMILES notation for 3-piperidin-3-yl-N-[4-(trifluoromethyl)cyclohexyl]butanamide;hydrochloride?
The canonical SMILES for 3-piperidin-3-yl-N-[4-(trifluoromethyl)cyclohexyl]butanamide;hydrochloride is CC(CC(=O)NC1CCC(C(F)(F)F)CC1)C1CCCNC1.Cl.
What is the InChIKey of 3-piperidin-3-yl-N-[4-(trifluoromethyl)cyclohexyl]butanamide;hydrochloride?
The InChIKey is WMSJIPCQFMOQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F3N2O.ClH/c1-11(12-3-2-8-20-10-12)9-15(22)21-14-6-4-13(5-7-14)16(17,18)19;/h11-14,20H,2-10H2,1H3,(H,21,22);1H.
What are the key properties of 3-piperidin-3-yl-N-[4-(trifluoromethyl)cyclohexyl]butanamide;hydrochloride?
3-piperidin-3-yl-N-[4-(trifluoromethyl)cyclohexyl]butanamide;hydrochloride has a molecular weight of 356.86 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yl-N-[4-(trifluoromethyl)cyclohexyl]butanamide;hydrochloride is sourced from PubChem (CID 119701805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).