N-[(1-ethylpyrrolidin-2-yl)methyl]-4,4,4-trifluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]butanamide

C20H36F3N3O2 — CID 45168001

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-4,4,4-trifluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]butanamide
SMILESCCN1CCCC1CN(CC1CCN(CCOC)CC1)C(=O)CCC(F)(F)F
InChIInChI=1S/C20H36F3N3O2/c1-3-25-10-4-5-18(25)16-26(19(27)6-9-20(21,22)23)15-17-7-11-24(12-8-17)13-14-28-2/h17-18H,3-16H2,1-2H3
InChIKeyNGWFSXRHDUXMPD-UHFFFAOYSA-N
MW407.52 g/mol
LogP3.00
Rot. Bonds10

About N-[(1-ethylpyrrolidin-2-yl)methyl]-4,4,4-trifluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]butanamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-4,4,4-trifluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]butanamide (PubChem CID 45168001) has the molecular formula C20H36F3N3O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-4,4,4-trifluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]butanamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-4,4,4-trifluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]butanamide
PubChem CID45168001
Molecular FormulaC20H36F3N3O2
Molecular Weight407.52 g/mol
Exact Mass407.28
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-4,4,4-trifluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]butanamide
SMILESCCN1CCCC1CN(CC1CCN(CCOC)CC1)C(=O)CCC(F)(F)F
InChIInChI=1S/C20H36F3N3O2/c1-3-25-10-4-5-18(25)16-26(19(27)6-9-20(21,22)23)15-17-7-11-24(12-8-17)13-14-28-2/h17-18H,3-16H2,1-2H3
InChIKeyNGWFSXRHDUXMPD-UHFFFAOYSA-N
XLogP3.00
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-pyridin-4-ylsulfanylacetamide
CID 45225771
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3,5-dimethylfuran-2-carboxamide
CID 45175059
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 42513986
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 45226089
(E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-phenylprop-2-en-1-amine
CID 45229833
5-[[[(2S)-1-ethylpyrrolidin-2-yl]methyl-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]amino]methyl]pyrimidin-2-amine
CID 29153862
N-(cyclopropylmethyl)-4,4,4-trifluoro-N-[(4-methylmorpholin-2-yl)methyl]butanamide
CID 129003823
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(1H-imidazol-5-ylmethyl)-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine
CID 45212641
3-acetamido-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 42286362
2-(azetidin-3-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylacetamide
CID 79314252
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-3-thiophen-2-ylpropanamide
CID 45230896
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-4-thiophen-2-ylbutanamide
CID 45201215

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-4,4,4-trifluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]butanamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-4,4,4-trifluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]butanamide (CID 45168001) is N-[(1-ethylpyrrolidin-2-yl)methyl]-4,4,4-trifluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]butanamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-4,4,4-trifluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]butanamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-4,4,4-trifluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]butanamide is CCN1CCCC1CN(CC1CCN(CCOC)CC1)C(=O)CCC(F)(F)F.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-4,4,4-trifluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]butanamide?
The InChIKey is NGWFSXRHDUXMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36F3N3O2/c1-3-25-10-4-5-18(25)16-26(19(27)6-9-20(21,22)23)15-17-7-11-24(12-8-17)13-14-28-2/h17-18H,3-16H2,1-2H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-4,4,4-trifluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]butanamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-4,4,4-trifluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]butanamide has a molecular weight of 407.52 g/mol, XLogP of 3.00, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-4,4,4-trifluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]butanamide is sourced from PubChem (CID 45168001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).