N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]-2-(trifluoromethyl)benzamide

C16H20F3N3O2 — CID 120555735

IUPACN-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]-2-(trifluoromethyl)benzamide
SMILESCC1CNCCC1NC(=O)CNC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H20F3N3O2/c1-10-8-20-7-6-13(10)22-14(23)9-21-15(24)11-4-2-3-5-12(11)16(17,18)19/h2-5,10,13,20H,6-9H2,1H3,(H,21,24)(H,22,23)
InChIKeyKENKWVXTLZXLFK-UHFFFAOYSA-N
MW343.35 g/mol
LogP1.55
Rot. Bonds4

About N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]-2-(trifluoromethyl)benzamide

N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]-2-(trifluoromethyl)benzamide (PubChem CID 120555735) has the molecular formula C16H20F3N3O2 and a molecular weight of 343.35 g/mol. Its IUPAC name is N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]-2-(trifluoromethyl)benzamide
PubChem CID120555735
Molecular FormulaC16H20F3N3O2
Molecular Weight343.35 g/mol
Exact Mass343.15
IUPAC NameN-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]-2-(trifluoromethyl)benzamide
SMILESCC1CNCCC1NC(=O)CNC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H20F3N3O2/c1-10-8-20-7-6-13(10)22-14(23)9-21-15(24)11-4-2-3-5-12(11)16(17,18)19/h2-5,10,13,20H,6-9H2,1H3,(H,21,24)(H,22,23)
InChIKeyKENKWVXTLZXLFK-UHFFFAOYSA-N
XLogP1.55
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 120556070
2-(2-tert-butylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide
CID 120556447
3,4-dichloro-N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]benzamide
CID 120555666
N-(3-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120553778
2,2-dimethyl-N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]propanamide;hydrochloride
CID 120554584
2-methyl-N-[(3R,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516930
N-(3-methylpiperidin-4-yl)-4-(trifluoromethyl)benzamide
CID 79886798
N-(2-oxopropyl)-2-(trifluoromethyl)benzamide
CID 64997392
N-[(3S,4S)-3-methylpiperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 124516977
N-(2-piperidin-3-ylethyl)-2-(trifluoromethyl)benzamide
CID 60895336
2-(2-methylphenyl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120557156
N-[2-oxo-2-(2-piperazin-1-ylethylamino)ethyl]-2-(trifluoromethyl)benzamide
CID 119446542

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]-2-(trifluoromethyl)benzamide (CID 120555735) is N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]-2-(trifluoromethyl)benzamide is CC1CNCCC1NC(=O)CNC(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]-2-(trifluoromethyl)benzamide?
The InChIKey is KENKWVXTLZXLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O2/c1-10-8-20-7-6-13(10)22-14(23)9-21-15(24)11-4-2-3-5-12(11)16(17,18)19/h2-5,10,13,20H,6-9H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]-2-(trifluoromethyl)benzamide?
N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]-2-(trifluoromethyl)benzamide has a molecular weight of 343.35 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 120555735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).