(2S)-N-cyclohexyl-2-[4-[(2S)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]propanamide

C16H28F3N3O — CID 124612307

IUPAC(2S)-N-cyclohexyl-2-[4-[(2S)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]propanamide
SMILESC[C@H](N1CCN([C@@H](C)C(=O)NC2CCCCC2)CC1)C(F)(F)F
InChIInChI=1S/C16H28F3N3O/c1-12(15(23)20-14-6-4-3-5-7-14)21-8-10-22(11-9-21)13(2)16(17,18)19/h12-14H,3-11H2,1-2H3,(H,20,23)/t12-,13-/m0/s1
InChIKeyPZLZJNLWBVXMPH-STQMWFEESA-N
MW335.41 g/mol
LogP2.39
Rot. Bonds4

About (2S)-N-cyclohexyl-2-[4-[(2S)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]propanamide

(2S)-N-cyclohexyl-2-[4-[(2S)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]propanamide (PubChem CID 124612307) has the molecular formula C16H28F3N3O and a molecular weight of 335.41 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-2-[4-[(2S)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-2-[4-[(2S)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]propanamide
PubChem CID124612307
Molecular FormulaC16H28F3N3O
Molecular Weight335.41 g/mol
Exact Mass335.22
IUPAC Name(2S)-N-cyclohexyl-2-[4-[(2S)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]propanamide
SMILESC[C@H](N1CCN([C@@H](C)C(=O)NC2CCCCC2)CC1)C(F)(F)F
InChIInChI=1S/C16H28F3N3O/c1-12(15(23)20-14-6-4-3-5-7-14)21-8-10-22(11-9-21)13(2)16(17,18)19/h12-14H,3-11H2,1-2H3,(H,20,23)/t12-,13-/m0/s1
InChIKeyPZLZJNLWBVXMPH-STQMWFEESA-N
XLogP2.39
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-cyclohexyl-2-[4-[(2S)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]propanamide with MolForge

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Related Compounds

Esaprazole
CID 68835
N-cyclohexyl-2-(4-cyclopentylpiperazin-1-yl)butanamide
CID 49853575
N-cyclohexyl-2-(4-cyclopentylpiperazin-1-yl)acetamide
CID 49853881
N-cyclohexyl-2-(4-cyclopentylpiperazin-1-yl)-2-methylpropanamide
CID 49853987
2-Piperazinone, 1-[2-(cyclohexylamino)ethyl]-3,3,5,5-tetramethyl-
CID 15165099
N-Cyclohexyl-2-oxo-2-(1-piperidinyl)ethaneamine
CID 10242745
2-(4-cyclohexylpiperazin-1-yl)-2-methyl-N-propan-2-ylpropanamide
CID 49853885
Esaprazole hydrochloride
CID 6917681
N-cyclohexyl-2-(4-methyl-1-piperazinyl)acetamide hydrochloride
CID 2959786
1-Cyclohexylpiperazin-2-one
CID 3157471
N-cyclohexyl-2-piperazin-1-ylhexanamide
CID 49853672
N-cyclohexyl-2-(4-propanoylpiperazin-1-yl)acetamide
CID 49853778

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-2-[4-[(2S)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-cyclohexyl-2-[4-[(2S)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]propanamide (CID 124612307) is (2S)-N-cyclohexyl-2-[4-[(2S)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-cyclohexyl-2-[4-[(2S)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-cyclohexyl-2-[4-[(2S)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]propanamide is C[C@H](N1CCN([C@@H](C)C(=O)NC2CCCCC2)CC1)C(F)(F)F.
What is the InChIKey of (2S)-N-cyclohexyl-2-[4-[(2S)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]propanamide?
The InChIKey is PZLZJNLWBVXMPH-STQMWFEESA-N. The full InChI is InChI=1S/C16H28F3N3O/c1-12(15(23)20-14-6-4-3-5-7-14)21-8-10-22(11-9-21)13(2)16(17,18)19/h12-14H,3-11H2,1-2H3,(H,20,23)/t12-,13-/m0/s1.
What are the key properties of (2S)-N-cyclohexyl-2-[4-[(2S)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]propanamide?
(2S)-N-cyclohexyl-2-[4-[(2S)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]propanamide has a molecular weight of 335.41 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclohexyl-2-[4-[(2S)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]propanamide is sourced from PubChem (CID 124612307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).