N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide

C18H25F3N4O2 — CID 9227761

IUPACN-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
SMILESCCCNC(=O)[C@@H](C)NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C18H25F3N4O2/c1-3-8-22-16(26)12(2)24-17(27)13-6-9-25(10-7-13)15-5-4-14(11-23-15)18(19,20)21/h4-5,11-13H,3,6-10H2,1-2H3,(H,22,26)(H,24,27)/t12-/m1/s1
InChIKeyWOSLPBVIYDUKBA-GFCCVEGCSA-N
MW386.42 g/mol
LogP2.35
Rot. Bonds6

About N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide

N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 9227761) has the molecular formula C18H25F3N4O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
PubChem CID9227761
Molecular FormulaC18H25F3N4O2
Molecular Weight386.42 g/mol
Exact Mass386.19
IUPAC NameN-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
SMILESCCCNC(=O)[C@@H](C)NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C18H25F3N4O2/c1-3-8-22-16(26)12(2)24-17(27)13-6-9-25(10-7-13)15-5-4-14(11-23-15)18(19,20)21/h4-5,11-13H,3,6-10H2,1-2H3,(H,22,26)(H,24,27)/t12-/m1/s1
InChIKeyWOSLPBVIYDUKBA-GFCCVEGCSA-N
XLogP2.35
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-methylhexan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 43031278
N-[(2R)-2-pyrrolidin-1-ylpropyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 92612338
N-[(1R)-1-(furan-2-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 9482111
N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 26313473
N-[3-(dimethylamino)-3-oxopropyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 155945603
N-[2-(2-methoxyethylamino)-2-oxoethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 24596265
N-[(1S)-1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 126453274
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 9367840
N-[(4-methoxyphenyl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 4876895
N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 17424947
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 46968579
1-[5-(trifluoromethyl)-2-pyridinyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide
CID 46977522

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide (CID 9227761) is N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide is CCCNC(=O)[C@@H](C)NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is WOSLPBVIYDUKBA-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H25F3N4O2/c1-3-8-22-16(26)12(2)24-17(27)13-6-9-25(10-7-13)15-5-4-14(11-23-15)18(19,20)21/h4-5,11-13H,3,6-10H2,1-2H3,(H,22,26)(H,24,27)/t12-/m1/s1.
What are the key properties of N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 386.42 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 9227761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).