2,2,2-trifluoro-N-[[4-(methoxymethyl)-1-(morpholine-4-carbonyl)piperidin-4-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide

C24H32F3N3O4 — CID 118290237

IUPAC2,2,2-trifluoro-N-[[4-(methoxymethyl)-1-(morpholine-4-carbonyl)piperidin-4-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
SMILESCOCC1(CN(C(=O)C(F)(F)F)[C@@H]2C[C@H]2c2ccccc2)CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C24H32F3N3O4/c1-33-17-23(7-9-28(10-8-23)22(32)29-11-13-34-14-12-29)16-30(21(31)24(25,26)27)20-15-19(20)18-5-3-2-4-6-18/h2-6,19-20H,7-17H2,1H3/t19-,20+/m0/s1
InChIKeyWZRXPVWGAIXTTN-VQTJNVASSA-N
MW483.53 g/mol
LogP3.11
Rot. Bonds6

About 2,2,2-trifluoro-N-[[4-(methoxymethyl)-1-(morpholine-4-carbonyl)piperidin-4-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide

2,2,2-trifluoro-N-[[4-(methoxymethyl)-1-(morpholine-4-carbonyl)piperidin-4-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide (PubChem CID 118290237) has the molecular formula C24H32F3N3O4 and a molecular weight of 483.53 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[4-(methoxymethyl)-1-(morpholine-4-carbonyl)piperidin-4-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[4-(methoxymethyl)-1-(morpholine-4-carbonyl)piperidin-4-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
PubChem CID118290237
Molecular FormulaC24H32F3N3O4
Molecular Weight483.53 g/mol
Exact Mass483.23
IUPAC Name2,2,2-trifluoro-N-[[4-(methoxymethyl)-1-(morpholine-4-carbonyl)piperidin-4-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
SMILESCOCC1(CN(C(=O)C(F)(F)F)[C@@H]2C[C@H]2c2ccccc2)CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C24H32F3N3O4/c1-33-17-23(7-9-28(10-8-23)22(32)29-11-13-34-14-12-29)16-30(21(31)24(25,26)27)20-15-19(20)18-5-3-2-4-6-18/h2-6,19-20H,7-17H2,1H3/t19-,20+/m0/s1
InChIKeyWZRXPVWGAIXTTN-VQTJNVASSA-N
XLogP3.11
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.53
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[[4-(methoxymethyl)-4-[[[(1R,2S)-2-phenylcyclopropyl]-(2,2,2-trifluoroacetyl)amino]methyl]piperidin-1-yl]methyl]cyclopropane-1-carboxylate
CID 118290821
tert-butyl 1-[[4-(methoxymethyl)-4-[[[(1R,2S)-2-phenylcyclopropyl]-(2,2,2-trifluoroacetyl)amino]methyl]piperidin-1-yl]methyl]cyclopentane-1-carboxylate
CID 118290883
benzene;tert-butyl 4-[[cyclopropyl-(2,2,2-trifluoroacetyl)amino]methyl]-4-(methoxymethyl)piperidine-1-carboxylate
CID 144903178
2,2,2-trifluoro-N-[(4-methylpiperidin-4-yl)methyl]-N-[(1R)-2-phenylcyclopropyl]acetamide
CID 118297906
methyl 3-[4-[(3-bromophenyl)methyl]-4-[[[(1R)-2-phenylcyclopropyl]-(2,2,2-trifluoroacetyl)amino]methyl]piperidin-1-yl]propanoate
CID 118302876
N-[(4-amino-1-fluorocyclohexyl)methyl]-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
CID 137422504
methyl 1-[[[(1S,2R)-2-phenylcyclopropyl]-(2,2,2-trifluoroacetyl)amino]methyl]piperidine-4-carboxylate
CID 140830913
N-[(4-amino-1-fluorocyclohexyl)methyl]-2,2,2-trifluoro-N-(2-phenylcyclopropyl)acetamide;hydrochloride
CID 155277847
methyl 3-[4-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-4-[[[(1R,2S)-2-phenylcyclopropyl]-(2,2,2-trifluoroacetyl)amino]methyl]piperidin-1-yl]propanoate
CID 118290267
[4-(methoxymethyl)-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 118290857
2,2,2-trifluoro-N-[[4-[(3-hydroxyphenyl)methyl]piperidin-4-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide;hydrochloride
CID 118290291
(4-hydroxypiperidin-1-yl)-[4-(methoxymethyl)-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]methanone
CID 123698897

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[4-(methoxymethyl)-1-(morpholine-4-carbonyl)piperidin-4-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[[4-(methoxymethyl)-1-(morpholine-4-carbonyl)piperidin-4-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide (CID 118290237) is 2,2,2-trifluoro-N-[[4-(methoxymethyl)-1-(morpholine-4-carbonyl)piperidin-4-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[[4-(methoxymethyl)-1-(morpholine-4-carbonyl)piperidin-4-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[[4-(methoxymethyl)-1-(morpholine-4-carbonyl)piperidin-4-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide is COCC1(CN(C(=O)C(F)(F)F)[C@@H]2C[C@H]2c2ccccc2)CCN(C(=O)N2CCOCC2)CC1.
What is the InChIKey of 2,2,2-trifluoro-N-[[4-(methoxymethyl)-1-(morpholine-4-carbonyl)piperidin-4-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide?
The InChIKey is WZRXPVWGAIXTTN-VQTJNVASSA-N. The full InChI is InChI=1S/C24H32F3N3O4/c1-33-17-23(7-9-28(10-8-23)22(32)29-11-13-34-14-12-29)16-30(21(31)24(25,26)27)20-15-19(20)18-5-3-2-4-6-18/h2-6,19-20H,7-17H2,1H3/t19-,20+/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[[4-(methoxymethyl)-1-(morpholine-4-carbonyl)piperidin-4-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide?
2,2,2-trifluoro-N-[[4-(methoxymethyl)-1-(morpholine-4-carbonyl)piperidin-4-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide has a molecular weight of 483.53 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[4-(methoxymethyl)-1-(morpholine-4-carbonyl)piperidin-4-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide is sourced from PubChem (CID 118290237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).