N-piperidin-3-yl-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride

C16H22ClF3N2O — CID 119427331

IUPACN-piperidin-3-yl-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
SMILESCCC(C(=O)NC1CCCNC1)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C16H21F3N2O.ClH/c1-2-14(15(22)21-13-7-4-8-20-10-13)11-5-3-6-12(9-11)16(17,18)19;/h3,5-6,9,13-14,20H,2,4,7-8,10H2,1H3,(H,21,22);1H
InChIKeyQRHAAKUFGKIIIO-UHFFFAOYSA-N
MW350.81 g/mol
LogP3.49
Rot. Bonds4

About N-piperidin-3-yl-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride

N-piperidin-3-yl-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride (PubChem CID 119427331) has the molecular formula C16H22ClF3N2O and a molecular weight of 350.81 g/mol. Its IUPAC name is N-piperidin-3-yl-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride.

Molecular Properties

Compound NameN-piperidin-3-yl-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
PubChem CID119427331
Molecular FormulaC16H22ClF3N2O
Molecular Weight350.81 g/mol
Exact Mass350.14
IUPAC NameN-piperidin-3-yl-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
SMILESCCC(C(=O)NC1CCCNC1)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C16H21F3N2O.ClH/c1-2-14(15(22)21-13-7-4-8-20-10-13)11-5-3-6-12(9-11)16(17,18)19;/h3,5-6,9,13-14,20H,2,4,7-8,10H2,1H3,(H,21,22);1H
InChIKeyQRHAAKUFGKIIIO-UHFFFAOYSA-N
XLogP3.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]butanamide
CID 119388692
N-(3-methylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 120554725
N-(tetrazolidin-5-yl)-2-[3-(trifluoromethyl)phenyl]butanamide
CID 134068455
N-piperidin-3-yl-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride
CID 119425494
1-piperazin-1-yl-2-[3-(trifluoromethyl)phenyl]butan-1-one;hydrochloride
CID 119402443
1-[3-(methylamino)piperidin-1-yl]-2-[3-(trifluoromethyl)phenyl]butan-1-one
CID 119491462
1-[(3R)-piperidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 104645603
3-piperidin-3-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 119686323
2-phenyl-N-piperidin-4-ylbutanamide;hydrochloride
CID 119389366
N-(2-amino-2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119628819
1-(3-piperazin-1-ylpyrrolidin-1-yl)-2-[3-(trifluoromethyl)phenyl]butan-1-one;hydrochloride
CID 120996972
N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
CID 119329896

Frequently Asked Questions

What is the IUPAC name of N-piperidin-3-yl-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride?
The IUPAC name of N-piperidin-3-yl-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride (CID 119427331) is N-piperidin-3-yl-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride.
What is the SMILES notation for N-piperidin-3-yl-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride?
The canonical SMILES for N-piperidin-3-yl-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride is CCC(C(=O)NC1CCCNC1)c1cccc(C(F)(F)F)c1.Cl.
What is the InChIKey of N-piperidin-3-yl-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride?
The InChIKey is QRHAAKUFGKIIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O.ClH/c1-2-14(15(22)21-13-7-4-8-20-10-13)11-5-3-6-12(9-11)16(17,18)19;/h3,5-6,9,13-14,20H,2,4,7-8,10H2,1H3,(H,21,22);1H.
What are the key properties of N-piperidin-3-yl-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride?
N-piperidin-3-yl-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride has a molecular weight of 350.81 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-3-yl-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride is sourced from PubChem (CID 119427331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).