N-[2-(dimethylamino)ethyl]-3,3,3-trifluoro-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]propanamide

C20H29F4N3O — CID 45234068

IUPACN-[2-(dimethylamino)ethyl]-3,3,3-trifluoro-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]propanamide
SMILESCN(C)CCN(CC1CCCN(Cc2ccccc2F)C1)C(=O)CC(F)(F)F
InChIInChI=1S/C20H29F4N3O/c1-25(2)10-11-27(19(28)12-20(22,23)24)14-16-6-5-9-26(13-16)15-17-7-3-4-8-18(17)21/h3-4,7-8,16H,5-6,9-15H2,1-2H3
InChIKeyOYXGPRHOAMTEQR-UHFFFAOYSA-N
MW403.46 g/mol
LogP3.38
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-3,3,3-trifluoro-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]propanamide

N-[2-(dimethylamino)ethyl]-3,3,3-trifluoro-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]propanamide (PubChem CID 45234068) has the molecular formula C20H29F4N3O and a molecular weight of 403.46 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3,3,3-trifluoro-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3,3,3-trifluoro-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]propanamide
PubChem CID45234068
Molecular FormulaC20H29F4N3O
Molecular Weight403.46 g/mol
Exact Mass403.22
IUPAC NameN-[2-(dimethylamino)ethyl]-3,3,3-trifluoro-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]propanamide
SMILESCN(C)CCN(CC1CCCN(Cc2ccccc2F)C1)C(=O)CC(F)(F)F
InChIInChI=1S/C20H29F4N3O/c1-25(2)10-11-27(19(28)12-20(22,23)24)14-16-6-5-9-26(13-16)15-17-7-3-4-8-18(17)21/h3-4,7-8,16H,5-6,9-15H2,1-2H3
InChIKeyOYXGPRHOAMTEQR-UHFFFAOYSA-N
XLogP3.38
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-piperidin-1-ylacetamide
CID 45207108
2-(2,6-difluorophenyl)-N-[2-(dimethylamino)ethyl]-N-[[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]acetamide
CID 42593150
N-[2-(dimethylamino)ethyl]-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 25283890
N-[2-(dimethylamino)ethyl]-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanecarboxamide
CID 25396069
N-[2-(dimethylamino)ethyl]-N-[[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-3-phenylpropanamide
CID 42245149
N-[2-(dimethylamino)ethyl]-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopentanecarboxamide
CID 97271006
N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]pent-4-enamide
CID 45225577
methyl 5-[2-(dimethylamino)ethyl-[[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]amino]-5-oxopentanoate
CID 25478516
2-(dimethylamino)-N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]benzamide
CID 45211956
N-[2-(dimethylamino)ethyl]-1-ethyl-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]piperidine-4-carboxamide
CID 42396155
N-[2-(dimethylamino)ethyl]-N-[[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]oxane-4-carboxamide
CID 42241946
N-[2-(dimethylamino)ethyl]-N-[[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 97281831

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3,3,3-trifluoro-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]propanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3,3,3-trifluoro-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]propanamide (CID 45234068) is N-[2-(dimethylamino)ethyl]-3,3,3-trifluoro-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]propanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3,3,3-trifluoro-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]propanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3,3,3-trifluoro-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]propanamide is CN(C)CCN(CC1CCCN(Cc2ccccc2F)C1)C(=O)CC(F)(F)F.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3,3,3-trifluoro-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]propanamide?
The InChIKey is OYXGPRHOAMTEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29F4N3O/c1-25(2)10-11-27(19(28)12-20(22,23)24)14-16-6-5-9-26(13-16)15-17-7-3-4-8-18(17)21/h3-4,7-8,16H,5-6,9-15H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-3,3,3-trifluoro-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]propanamide?
N-[2-(dimethylamino)ethyl]-3,3,3-trifluoro-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]propanamide has a molecular weight of 403.46 g/mol, XLogP of 3.38, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3,3,3-trifluoro-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]propanamide is sourced from PubChem (CID 45234068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).