N-[4-(2-methylmorpholin-4-yl)phenyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

C19H24F3N3O3 — CID 110637302

IUPACN-[4-(2-methylmorpholin-4-yl)phenyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCC1CN(c2ccc(NC(=O)C3CCN(C(=O)C(F)(F)F)CC3)cc2)CCO1
InChIInChI=1S/C19H24F3N3O3/c1-13-12-25(10-11-28-13)16-4-2-15(3-5-16)23-17(26)14-6-8-24(9-7-14)18(27)19(20,21)22/h2-5,13-14H,6-12H2,1H3,(H,23,26)
InChIKeyZFLBVAHDZYWXHQ-UHFFFAOYSA-N
MW399.41 g/mol
LogP2.65
Rot. Bonds3

About N-[4-(2-methylmorpholin-4-yl)phenyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

N-[4-(2-methylmorpholin-4-yl)phenyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (PubChem CID 110637302) has the molecular formula C19H24F3N3O3 and a molecular weight of 399.41 g/mol. Its IUPAC name is N-[4-(2-methylmorpholin-4-yl)phenyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methylmorpholin-4-yl)phenyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
PubChem CID110637302
Molecular FormulaC19H24F3N3O3
Molecular Weight399.41 g/mol
Exact Mass399.18
IUPAC NameN-[4-(2-methylmorpholin-4-yl)phenyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCC1CN(c2ccc(NC(=O)C3CCN(C(=O)C(F)(F)F)CC3)cc2)CCO1
InChIInChI=1S/C19H24F3N3O3/c1-13-12-25(10-11-28-13)16-4-2-15(3-5-16)23-17(26)14-6-8-24(9-7-14)18(27)19(20,21)22/h2-5,13-14H,6-12H2,1H3,(H,23,26)
InChIKeyZFLBVAHDZYWXHQ-UHFFFAOYSA-N
XLogP2.65
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 52.65
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

2,2-dimethyl-N-[4-(2-methylmorpholin-4-yl)phenyl]propanamide
CID 110637241
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110344159
1-(4-hydroxycyclohexyl)-3-[4-[(2R)-2-methylmorpholin-4-yl]phenyl]urea
CID 95634857
2-chloro-N-[4-(2-methylmorpholin-4-yl)phenyl]benzamide
CID 110637279
1-(2-methylpropanoyl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 31778030
N-(3-chloro-4-methylphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110344122
2-ethyl-N-[4-(2-methylmorpholin-4-yl)phenyl]butanamide
CID 110637243
N-(2-morpholin-4-ylphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110344153
N-[4-(2-methylmorpholin-4-yl)phenyl]-2-phenylacetamide
CID 110637265
N-(4-tert-butylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 27258911
N-(2-methyl-5-pyrrolidin-1-ylphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110361733
4-amino-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]cyclohexane-1-carboxamide
CID 70892650

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylmorpholin-4-yl)phenyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The IUPAC name of N-[4-(2-methylmorpholin-4-yl)phenyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (CID 110637302) is N-[4-(2-methylmorpholin-4-yl)phenyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(2-methylmorpholin-4-yl)phenyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-(2-methylmorpholin-4-yl)phenyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is CC1CN(c2ccc(NC(=O)C3CCN(C(=O)C(F)(F)F)CC3)cc2)CCO1.
What is the InChIKey of N-[4-(2-methylmorpholin-4-yl)phenyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The InChIKey is ZFLBVAHDZYWXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O3/c1-13-12-25(10-11-28-13)16-4-2-15(3-5-16)23-17(26)14-6-8-24(9-7-14)18(27)19(20,21)22/h2-5,13-14H,6-12H2,1H3,(H,23,26).
What are the key properties of N-[4-(2-methylmorpholin-4-yl)phenyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
N-[4-(2-methylmorpholin-4-yl)phenyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide has a molecular weight of 399.41 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylmorpholin-4-yl)phenyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 110637302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).