N-[(3R,5R)-5-cyclopropyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]-2-morpholin-4-ylacetamide

C24H29F3N4O2 — CID 129240636

IUPACN-[(3R,5R)-5-cyclopropyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)N[C@@H]1C[C@H](C2CC2)CN(c2ccc(C(F)(F)F)c3ncccc23)C1
InChIInChI=1S/C24H29F3N4O2/c25-24(26,27)20-5-6-21(19-2-1-7-28-23(19)20)31-13-17(16-3-4-16)12-18(14-31)29-22(32)15-30-8-10-33-11-9-30/h1-2,5-7,16-18H,3-4,8-15H2,(H,29,32)/t17-,18+/m0/s1
InChIKeyGUPNMEMIRXRHNE-ZWKOTPCHSA-N
MW462.52 g/mol
LogP3.31
Rot. Bonds5

About N-[(3R,5R)-5-cyclopropyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]-2-morpholin-4-ylacetamide

N-[(3R,5R)-5-cyclopropyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]-2-morpholin-4-ylacetamide (PubChem CID 129240636) has the molecular formula C24H29F3N4O2 and a molecular weight of 462.52 g/mol. Its IUPAC name is N-[(3R,5R)-5-cyclopropyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[(3R,5R)-5-cyclopropyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]-2-morpholin-4-ylacetamide
PubChem CID129240636
Molecular FormulaC24H29F3N4O2
Molecular Weight462.52 g/mol
Exact Mass462.22
IUPAC NameN-[(3R,5R)-5-cyclopropyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)N[C@@H]1C[C@H](C2CC2)CN(c2ccc(C(F)(F)F)c3ncccc23)C1
InChIInChI=1S/C24H29F3N4O2/c25-24(26,27)20-5-6-21(19-2-1-7-28-23(19)20)31-13-17(16-3-4-16)12-18(14-31)29-22(32)15-30-8-10-33-11-9-30/h1-2,5-7,16-18H,3-4,8-15H2,(H,29,32)/t17-,18+/m0/s1
InChIKeyGUPNMEMIRXRHNE-ZWKOTPCHSA-N
XLogP3.31
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.52
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3R,5R)-5-cyclopropyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]-2-morpholin-4-ylacetamide with MolForge

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Related Compounds

2-(4-methylpiperazin-1-yl)-N-[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]acetamide
CID 129241135
2-(4-methylpiperazin-1-yl)-N-[(3R,5S)-5-(trifluoromethyl)-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]acetamide
CID 156694866
3,3-dimethyl-N-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]butanamide
CID 166776961
3-amino-N-[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]propanamide
CID 146316950
2-(1-hydroxycyclopropyl)-N-[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]acetamide
CID 129241298
2-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]acetamide
CID 129241327
2-(1-methylazetidin-3-yl)-N-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]acetamide
CID 166776978
2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)-N-[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]acetamide
CID 156694826
2-(methanesulfonamido)-N-[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]acetamide
CID 129240735
2-(1-aminocyclohexyl)-N-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]acetamide
CID 166776942
2-(3-hydroxyazetidin-1-yl)-N-[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]acetamide
CID 129240993
2-(3-aminoazetidin-1-yl)-N-[(3R,5S)-1-[8-(difluoromethyl)quinolin-5-yl]-5-methylpiperidin-3-yl]acetamide
CID 129240938

Frequently Asked Questions

What is the IUPAC name of N-[(3R,5R)-5-cyclopropyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[(3R,5R)-5-cyclopropyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]-2-morpholin-4-ylacetamide (CID 129240636) is N-[(3R,5R)-5-cyclopropyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[(3R,5R)-5-cyclopropyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[(3R,5R)-5-cyclopropyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)N[C@@H]1C[C@H](C2CC2)CN(c2ccc(C(F)(F)F)c3ncccc23)C1.
What is the InChIKey of N-[(3R,5R)-5-cyclopropyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]-2-morpholin-4-ylacetamide?
The InChIKey is GUPNMEMIRXRHNE-ZWKOTPCHSA-N. The full InChI is InChI=1S/C24H29F3N4O2/c25-24(26,27)20-5-6-21(19-2-1-7-28-23(19)20)31-13-17(16-3-4-16)12-18(14-31)29-22(32)15-30-8-10-33-11-9-30/h1-2,5-7,16-18H,3-4,8-15H2,(H,29,32)/t17-,18+/m0/s1.
What are the key properties of N-[(3R,5R)-5-cyclopropyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]-2-morpholin-4-ylacetamide?
N-[(3R,5R)-5-cyclopropyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]-2-morpholin-4-ylacetamide has a molecular weight of 462.52 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5R)-5-cyclopropyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 129240636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).