N,N-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide

C16H21F3N2O2 — CID 86869704

IUPACN,N-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
SMILESCN(C)C(=O)C1CCCN(Cc2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C16H21F3N2O2/c1-20(2)15(22)13-4-3-9-21(11-13)10-12-5-7-14(8-6-12)23-16(17,18)19/h5-8,13H,3-4,9-11H2,1-2H3
InChIKeyPEAIZKITMMYDNT-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.89
Rot. Bonds4

About N,N-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide

N,N-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 86869704) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is N,N-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
PubChem CID86869704
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC NameN,N-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
SMILESCN(C)C(=O)C1CCCN(Cc2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C16H21F3N2O2/c1-20(2)15(22)13-4-3-9-21(11-13)10-12-5-7-14(8-6-12)23-16(17,18)19/h5-8,13H,3-4,9-11H2,1-2H3
InChIKeyPEAIZKITMMYDNT-UHFFFAOYSA-N
XLogP2.89
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]cyclopropanecarboxamide
CID 166606164
(3R)-N,N-dimethyl-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidine-3-carboxamide
CID 52539875
(3S)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-ol
CID 26458695
(3S)-1-[(4-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 38105345
(3R)-1-[[4-[[(3R)-3-(diethylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]-N,N-diethylpiperidine-3-carboxamide;dihydrobromide
CID 3072460
(3R)-1-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-N-methylpiperidine-3-carboxamide
CID 100777734
1-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-N-methylpiperidine-3-carboxamide
CID 133159211
1-[3-(4-ethylphenoxy)-2-hydroxypropyl]-N,N-dimethylpiperidine-3-carboxamide
CID 110909722
2-[(3R)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]acetic acid
CID 97074078
N,N-dimethyl-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propanamide
CID 55626011
(3R)-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N,N-dimethylpiperidine-3-carboxamide
CID 124804980
N-benzyl-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 131709262

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of N,N-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide (CID 86869704) is N,N-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide is CN(C)C(=O)C1CCCN(Cc2ccc(OC(F)(F)F)cc2)C1.
What is the InChIKey of N,N-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is PEAIZKITMMYDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c1-20(2)15(22)13-4-3-9-21(11-13)10-12-5-7-14(8-6-12)23-16(17,18)19/h5-8,13H,3-4,9-11H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide?
N,N-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 330.35 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 86869704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).