2-amino-N-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]-5-(trifluoromethyl)benzamide

C23H26F3N3O2 — CID 99815640

IUPAC2-amino-N-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]-5-(trifluoromethyl)benzamide
SMILESCC[C@@H](C(=O)N1CCC(NC(=O)c2cc(C(F)(F)F)ccc2N)CC1)c1ccccc1
InChIInChI=1S/C23H26F3N3O2/c1-2-18(15-6-4-3-5-7-15)22(31)29-12-10-17(11-13-29)28-21(30)19-14-16(23(24,25)26)8-9-20(19)27/h3-9,14,17-18H,2,10-13,27H2,1H3,(H,28,30)/t18-/m1/s1
InChIKeyLVQPZRDWBBYOAB-GOSISDBHSA-N
MW433.47 g/mol
LogP4.20
Rot. Bonds5

About 2-amino-N-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]-5-(trifluoromethyl)benzamide

2-amino-N-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]-5-(trifluoromethyl)benzamide (PubChem CID 99815640) has the molecular formula C23H26F3N3O2 and a molecular weight of 433.47 g/mol. Its IUPAC name is 2-amino-N-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-amino-N-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]-5-(trifluoromethyl)benzamide
PubChem CID99815640
Molecular FormulaC23H26F3N3O2
Molecular Weight433.47 g/mol
Exact Mass433.20
IUPAC Name2-amino-N-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]-5-(trifluoromethyl)benzamide
SMILESCC[C@@H](C(=O)N1CCC(NC(=O)c2cc(C(F)(F)F)ccc2N)CC1)c1ccccc1
InChIInChI=1S/C23H26F3N3O2/c1-2-18(15-6-4-3-5-7-15)22(31)29-12-10-17(11-13-29)28-21(30)19-14-16(23(24,25)26)8-9-20(19)27/h3-9,14,17-18H,2,10-13,27H2,1H3,(H,28,30)/t18-/m1/s1
InChIKeyLVQPZRDWBBYOAB-GOSISDBHSA-N
XLogP4.20
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]urea
CID 95303034
N-[1-(2-phenylbutanoyl)piperidin-4-yl]furan-2-carboxamide
CID 51102722
3-amino-3-phenyl-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide
CID 119950959
1-(4-hydroxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]butan-1-one
CID 111969635
N-[1-(2-phenylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide
CID 119311950
N-[1-[1-(2-phenylbutanoyl)piperidin-4-yl]piperidin-4-yl]-4-(trifluoromethoxy)benzamide
CID 171684982
N-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 124628014
2-amino-3-methoxy-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide
CID 120988219
(1S,6R)-N-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 95906118
2-amino-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 61213391
2-(cyclopropylmethylamino)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide;hydrochloride
CID 119763651
3-amino-N-[1-(2-phenylbutanoyl)piperidin-4-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119763637

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-amino-N-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]-5-(trifluoromethyl)benzamide (CID 99815640) is 2-amino-N-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-amino-N-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-amino-N-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]-5-(trifluoromethyl)benzamide is CC[C@@H](C(=O)N1CCC(NC(=O)c2cc(C(F)(F)F)ccc2N)CC1)c1ccccc1.
What is the InChIKey of 2-amino-N-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]-5-(trifluoromethyl)benzamide?
The InChIKey is LVQPZRDWBBYOAB-GOSISDBHSA-N. The full InChI is InChI=1S/C23H26F3N3O2/c1-2-18(15-6-4-3-5-7-15)22(31)29-12-10-17(11-13-29)28-21(30)19-14-16(23(24,25)26)8-9-20(19)27/h3-9,14,17-18H,2,10-13,27H2,1H3,(H,28,30)/t18-/m1/s1.
What are the key properties of 2-amino-N-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]-5-(trifluoromethyl)benzamide?
2-amino-N-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]-5-(trifluoromethyl)benzamide has a molecular weight of 433.47 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 99815640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).