N-(4-morpholin-4-ylphenyl)-3-[3-(trifluoromethyl)piperidin-1-yl]propanamide

C19H26F3N3O2 — CID 42930123

IUPACN-(4-morpholin-4-ylphenyl)-3-[3-(trifluoromethyl)piperidin-1-yl]propanamide
SMILESO=C(CCN1CCCC(C(F)(F)F)C1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H26F3N3O2/c20-19(21,22)15-2-1-8-24(14-15)9-7-18(26)23-16-3-5-17(6-4-16)25-10-12-27-13-11-25/h3-6,15H,1-2,7-14H2,(H,23,26)
InChIKeyNQQAJZJFBTTZAX-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.13
Rot. Bonds5

About N-(4-morpholin-4-ylphenyl)-3-[3-(trifluoromethyl)piperidin-1-yl]propanamide

N-(4-morpholin-4-ylphenyl)-3-[3-(trifluoromethyl)piperidin-1-yl]propanamide (PubChem CID 42930123) has the molecular formula C19H26F3N3O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-3-[3-(trifluoromethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-3-[3-(trifluoromethyl)piperidin-1-yl]propanamide
PubChem CID42930123
Molecular FormulaC19H26F3N3O2
Molecular Weight385.43 g/mol
Exact Mass385.20
IUPAC NameN-(4-morpholin-4-ylphenyl)-3-[3-(trifluoromethyl)piperidin-1-yl]propanamide
SMILESO=C(CCN1CCCC(C(F)(F)F)C1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H26F3N3O2/c20-19(21,22)15-2-1-8-24(14-15)9-7-18(26)23-16-3-5-17(6-4-16)25-10-12-27-13-11-25/h3-6,15H,1-2,7-14H2,(H,23,26)
InChIKeyNQQAJZJFBTTZAX-UHFFFAOYSA-N
XLogP3.13
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-(3-hydroxypiperidin-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide
CID 71900221
3-(4-hydroxypiperidin-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide
CID 46683230
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 25329580
3-cyclohexyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 7409256
2-(3-methylpiperidin-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide
CID 4824447
3-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide
CID 56525850
3-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 61252883
N-[4-(1,4-oxazepan-4-yl)phenyl]-2-piperidin-1-ylacetamide
CID 155391873
N-(4-morpholin-4-ylphenyl)pentanamide
CID 2765048
N,N-dimethyl-4-[[2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetyl]amino]benzamide
CID 27223796
methyl 4-(4-morpholin-4-ylanilino)-4-oxobutanoate
CID 51985182
N-(4-acetylphenyl)-3-[3-(methylamino)piperidin-1-yl]propanamide
CID 119919130

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-3-[3-(trifluoromethyl)piperidin-1-yl]propanamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-3-[3-(trifluoromethyl)piperidin-1-yl]propanamide (CID 42930123) is N-(4-morpholin-4-ylphenyl)-3-[3-(trifluoromethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-3-[3-(trifluoromethyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-3-[3-(trifluoromethyl)piperidin-1-yl]propanamide is O=C(CCN1CCCC(C(F)(F)F)C1)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-3-[3-(trifluoromethyl)piperidin-1-yl]propanamide?
The InChIKey is NQQAJZJFBTTZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O2/c20-19(21,22)15-2-1-8-24(14-15)9-7-18(26)23-16-3-5-17(6-4-16)25-10-12-27-13-11-25/h3-6,15H,1-2,7-14H2,(H,23,26).
What are the key properties of N-(4-morpholin-4-ylphenyl)-3-[3-(trifluoromethyl)piperidin-1-yl]propanamide?
N-(4-morpholin-4-ylphenyl)-3-[3-(trifluoromethyl)piperidin-1-yl]propanamide has a molecular weight of 385.43 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-3-[3-(trifluoromethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 42930123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).