4-[[(2R)-2-amino-4-methylpentanoyl]amino]-N-phenylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid

C20H29F3N4O4 — CID 154884603

IUPAC4-[[(2R)-2-amino-4-methylpentanoyl]amino]-N-phenylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)C[C@@H](N)C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H28N4O2.C2HF3O2/c1-13(2)12-16(19)17(23)20-15-8-10-22(11-9-15)18(24)21-14-6-4-3-5-7-14;3-2(4,5)1(6)7/h3-7,13,15-16H,8-12,19H2,1-2H3,(H,20,23)(H,21,24);(H,6,7)/t16-;/m1./s1
InChIKeyXVRRTRJAMNCYGE-PKLMIRHRSA-N
MW446.47 g/mol
LogP2.81
Rot. Bonds5

About 4-[[(2R)-2-amino-4-methylpentanoyl]amino]-N-phenylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid

4-[[(2R)-2-amino-4-methylpentanoyl]amino]-N-phenylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 154884603) has the molecular formula C20H29F3N4O4 and a molecular weight of 446.47 g/mol. Its IUPAC name is 4-[[(2R)-2-amino-4-methylpentanoyl]amino]-N-phenylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-[[(2R)-2-amino-4-methylpentanoyl]amino]-N-phenylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID154884603
Molecular FormulaC20H29F3N4O4
Molecular Weight446.47 g/mol
Exact Mass446.21
IUPAC Name4-[[(2R)-2-amino-4-methylpentanoyl]amino]-N-phenylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)C[C@@H](N)C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H28N4O2.C2HF3O2/c1-13(2)12-16(19)17(23)20-15-8-10-22(11-9-15)18(24)21-14-6-4-3-5-7-14;3-2(4,5)1(6)7/h3-7,13,15-16H,8-12,19H2,1-2H3,(H,20,23)(H,21,24);(H,6,7)/t16-;/m1./s1
InChIKeyXVRRTRJAMNCYGE-PKLMIRHRSA-N
XLogP2.81
TPSA124.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 52.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-[[(2R)-2-amino-4-methylpentanoyl]amino]-N-phenylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

4-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-phenylpiperidine-1-carboxamide;hydrochloride
CID 119276932
4-[(2-amino-3-methylpentanoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 119700255
(2S)-2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-methylpentanamide;hydrochloride
CID 119710991
4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]-N-phenylpiperidine-1-carboxamide
CID 126804910
4-[(2-acetamido-3-phenylpropanoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 6487275
4-[[1-(2-methylpropyl)piperidin-4-yl]amino]-N-phenylpiperidine-1-carboxamide
CID 56717075
(2S)-2-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 119307382
1-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-3-(4-fluorophenyl)urea
CID 119734475
N-phenyl-4-(3-phenylprop-2-ynoylamino)piperidine-1-carboxamide
CID 71982071
4-(3-cyclopentylpropanoylamino)-N-phenylpiperidine-1-carboxamide
CID 46700387
N-phenyl-4-(propylamino)piperidine-1-carboxamide
CID 54923338
3-(2-methylpropyl)-4-oxo-N-[1-(phenylcarbamoyl)piperidin-4-yl]phthalazine-1-carboxamide
CID 55501814

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-amino-4-methylpentanoyl]amino]-N-phenylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-[[(2R)-2-amino-4-methylpentanoyl]amino]-N-phenylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid (CID 154884603) is 4-[[(2R)-2-amino-4-methylpentanoyl]amino]-N-phenylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-[[(2R)-2-amino-4-methylpentanoyl]amino]-N-phenylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-[[(2R)-2-amino-4-methylpentanoyl]amino]-N-phenylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid is CC(C)C[C@@H](N)C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-[[(2R)-2-amino-4-methylpentanoyl]amino]-N-phenylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is XVRRTRJAMNCYGE-PKLMIRHRSA-N. The full InChI is InChI=1S/C18H28N4O2.C2HF3O2/c1-13(2)12-16(19)17(23)20-15-8-10-22(11-9-15)18(24)21-14-6-4-3-5-7-14;3-2(4,5)1(6)7/h3-7,13,15-16H,8-12,19H2,1-2H3,(H,20,23)(H,21,24);(H,6,7)/t16-;/m1./s1.
What are the key properties of 4-[[(2R)-2-amino-4-methylpentanoyl]amino]-N-phenylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid?
4-[[(2R)-2-amino-4-methylpentanoyl]amino]-N-phenylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 446.47 g/mol, XLogP of 2.81, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-amino-4-methylpentanoyl]amino]-N-phenylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154884603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).