N-[1-[4-(dimethylamino)pyridine-2-carbonyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide

C16H21F3N4O2 — CID 128970682

IUPACN-[1-[4-(dimethylamino)pyridine-2-carbonyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCC(C(F)(F)F)N(C(=O)c2cc(N(C)C)ccn2)C1
InChIInChI=1S/C16H21F3N4O2/c1-10(24)21-11-4-5-14(16(17,18)19)23(9-11)15(25)13-8-12(22(2)3)6-7-20-13/h6-8,11,14H,4-5,9H2,1-3H3,(H,21,24)
InChIKeyJGRWOFIRVNJWJY-UHFFFAOYSA-N
MW358.36 g/mol
LogP1.82
Rot. Bonds3

About N-[1-[4-(dimethylamino)pyridine-2-carbonyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide

N-[1-[4-(dimethylamino)pyridine-2-carbonyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide (PubChem CID 128970682) has the molecular formula C16H21F3N4O2 and a molecular weight of 358.36 g/mol. Its IUPAC name is N-[1-[4-(dimethylamino)pyridine-2-carbonyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[4-(dimethylamino)pyridine-2-carbonyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
PubChem CID128970682
Molecular FormulaC16H21F3N4O2
Molecular Weight358.36 g/mol
Exact Mass358.16
IUPAC NameN-[1-[4-(dimethylamino)pyridine-2-carbonyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCC(C(F)(F)F)N(C(=O)c2cc(N(C)C)ccn2)C1
InChIInChI=1S/C16H21F3N4O2/c1-10(24)21-11-4-5-14(16(17,18)19)23(9-11)15(25)13-8-12(22(2)3)6-7-20-13/h6-8,11,14H,4-5,9H2,1-3H3,(H,21,24)
InChIKeyJGRWOFIRVNJWJY-UHFFFAOYSA-N
XLogP1.82
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(pyridine-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 128989570
N-[(3S,6S)-1-(3-methyl-1,2-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 129491835
N-[(3R,6S)-1-(5-methyl-1,3-oxazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 129491793
N-[(3R,6R)-1-(3-cyano-4-fluorobenzoyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 129345616
N-[1-(2-fluoro-3-methylbenzoyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 128989597
N-[(3S,6S)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 129491804
N-[1-[2-(2-methylpyrazol-3-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 128989560
N-[(3R,6S)-1-(cyclopent-3-ene-1-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 129352014
N-[(3R,6S)-1-[3-(furan-3-yl)propanoyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 129345744
N-[(3R,6S)-1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 129345739
N-[1-[3-(3-nitrophenyl)prop-2-enoyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 126801268
N-[1-[2-(1-methylpyrazol-4-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 128989498

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(dimethylamino)pyridine-2-carbonyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[1-[4-(dimethylamino)pyridine-2-carbonyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide (CID 128970682) is N-[1-[4-(dimethylamino)pyridine-2-carbonyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[4-(dimethylamino)pyridine-2-carbonyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-[4-(dimethylamino)pyridine-2-carbonyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide is CC(=O)NC1CCC(C(F)(F)F)N(C(=O)c2cc(N(C)C)ccn2)C1.
What is the InChIKey of N-[1-[4-(dimethylamino)pyridine-2-carbonyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The InChIKey is JGRWOFIRVNJWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N4O2/c1-10(24)21-11-4-5-14(16(17,18)19)23(9-11)15(25)13-8-12(22(2)3)6-7-20-13/h6-8,11,14H,4-5,9H2,1-3H3,(H,21,24).
What are the key properties of N-[1-[4-(dimethylamino)pyridine-2-carbonyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide?
N-[1-[4-(dimethylamino)pyridine-2-carbonyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide has a molecular weight of 358.36 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(dimethylamino)pyridine-2-carbonyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 128970682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).