N-methyl-3-piperidin-3-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide;hydrochloride

C18H26ClF3N2O2 — CID 119717349

IUPACN-methyl-3-piperidin-3-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide;hydrochloride
SMILESCC(CC(=O)N(C)Cc1ccc(OC(F)(F)F)cc1)C1CCCNC1.Cl
InChIInChI=1S/C18H25F3N2O2.ClH/c1-13(15-4-3-9-22-11-15)10-17(24)23(2)12-14-5-7-16(8-6-14)25-18(19,20)21;/h5-8,13,15,22H,3-4,9-12H2,1-2H3;1H
InChIKeyVNJXNWDPWIKXDZ-UHFFFAOYSA-N
MW394.87 g/mol
LogP3.99
Rot. Bonds6

About N-methyl-3-piperidin-3-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide;hydrochloride

N-methyl-3-piperidin-3-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide;hydrochloride (PubChem CID 119717349) has the molecular formula C18H26ClF3N2O2 and a molecular weight of 394.87 g/mol. Its IUPAC name is N-methyl-3-piperidin-3-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-3-piperidin-3-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide;hydrochloride
PubChem CID119717349
Molecular FormulaC18H26ClF3N2O2
Molecular Weight394.87 g/mol
Exact Mass394.16
IUPAC NameN-methyl-3-piperidin-3-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide;hydrochloride
SMILESCC(CC(=O)N(C)Cc1ccc(OC(F)(F)F)cc1)C1CCCNC1.Cl
InChIInChI=1S/C18H25F3N2O2.ClH/c1-13(15-4-3-9-22-11-15)10-17(24)23(2)12-14-5-7-16(8-6-14)25-18(19,20)21;/h5-8,13,15,22H,3-4,9-12H2,1-2H3;1H
InChIKeyVNJXNWDPWIKXDZ-UHFFFAOYSA-N
XLogP3.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.87
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-3-piperidin-3-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide;hydrochloride with MolForge

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 81049753
N-methyl-N-[(4-methylsulfinylphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119807774
N-methyl-N-(naphthalen-2-ylmethyl)-3-piperidin-3-ylbutanamide
CID 119687832
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119692017
N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119759988
N-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119773757
N-methyl-N-(naphthalen-1-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119707667
N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119895738
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3-piperidin-3-ylbutanamide
CID 119719387
N-[(2-ethoxyphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 119738443
N-methyl-N-(3-phenoxypropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119731938
N-(2,2-difluoroethyl)-N-methyl-3-piperidin-3-ylbutanamide
CID 115738604

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-piperidin-3-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide;hydrochloride?
The IUPAC name of N-methyl-3-piperidin-3-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide;hydrochloride (CID 119717349) is N-methyl-3-piperidin-3-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide;hydrochloride.
What is the SMILES notation for N-methyl-3-piperidin-3-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide;hydrochloride?
The canonical SMILES for N-methyl-3-piperidin-3-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide;hydrochloride is CC(CC(=O)N(C)Cc1ccc(OC(F)(F)F)cc1)C1CCCNC1.Cl.
What is the InChIKey of N-methyl-3-piperidin-3-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide;hydrochloride?
The InChIKey is VNJXNWDPWIKXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O2.ClH/c1-13(15-4-3-9-22-11-15)10-17(24)23(2)12-14-5-7-16(8-6-14)25-18(19,20)21;/h5-8,13,15,22H,3-4,9-12H2,1-2H3;1H.
What are the key properties of N-methyl-3-piperidin-3-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide;hydrochloride?
N-methyl-3-piperidin-3-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide;hydrochloride has a molecular weight of 394.87 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-piperidin-3-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide;hydrochloride is sourced from PubChem (CID 119717349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).