(2R)-N-(2-methylphenyl)-2-[4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]propanamide

C17H24F3N3O — CID 129397528

IUPAC(2R)-N-(2-methylphenyl)-2-[4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]propanamide
SMILESCc1ccccc1NC(=O)[C@@H](C)N1CCN([C@H](C)C(F)(F)F)CC1
InChIInChI=1S/C17H24F3N3O/c1-12-6-4-5-7-15(12)21-16(24)13(2)22-8-10-23(11-9-22)14(3)17(18,19)20/h4-7,13-14H,8-11H2,1-3H3,(H,21,24)/t13-,14-/m1/s1
InChIKeyMSVDKEYDDDFYAX-ZIAGYGMSSA-N
MW343.39 g/mol
LogP2.89
Rot. Bonds4

About (2R)-N-(2-methylphenyl)-2-[4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]propanamide

(2R)-N-(2-methylphenyl)-2-[4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]propanamide (PubChem CID 129397528) has the molecular formula C17H24F3N3O and a molecular weight of 343.39 g/mol. Its IUPAC name is (2R)-N-(2-methylphenyl)-2-[4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(2-methylphenyl)-2-[4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]propanamide
PubChem CID129397528
Molecular FormulaC17H24F3N3O
Molecular Weight343.39 g/mol
Exact Mass343.19
IUPAC Name(2R)-N-(2-methylphenyl)-2-[4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]propanamide
SMILESCc1ccccc1NC(=O)[C@@H](C)N1CCN([C@H](C)C(F)(F)F)CC1
InChIInChI=1S/C17H24F3N3O/c1-12-6-4-5-7-15(12)21-16(24)13(2)22-8-10-23(11-9-22)14(3)17(18,19)20/h4-7,13-14H,8-11H2,1-3H3,(H,21,24)/t13-,14-/m1/s1
InChIKeyMSVDKEYDDDFYAX-ZIAGYGMSSA-N
XLogP2.89
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N-(2-methylphenyl)propanamide
CID 51167865
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CID 60513033
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)propanamide
CID 46558770
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)propanamide
CID 51168008
2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 24506631
(2S)-N-(2-methylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide
CID 31629845
tert-butyl N-[1-[1-(2-methylanilino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate
CID 60513191
2-(4-acetylpiperazin-1-yl)-N-(2-phenylphenyl)propanamide
CID 18078428
2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 46563153
(2S)-2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)propanamide
CID 30637178
(2R)-N-(2-methylphenyl)-2-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propanamide
CID 97256783
(2S)-2-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)propanamide
CID 30736001

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methylphenyl)-2-[4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-(2-methylphenyl)-2-[4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]propanamide (CID 129397528) is (2R)-N-(2-methylphenyl)-2-[4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(2-methylphenyl)-2-[4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-(2-methylphenyl)-2-[4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]propanamide is Cc1ccccc1NC(=O)[C@@H](C)N1CCN([C@H](C)C(F)(F)F)CC1.
What is the InChIKey of (2R)-N-(2-methylphenyl)-2-[4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]propanamide?
The InChIKey is MSVDKEYDDDFYAX-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H24F3N3O/c1-12-6-4-5-7-15(12)21-16(24)13(2)22-8-10-23(11-9-22)14(3)17(18,19)20/h4-7,13-14H,8-11H2,1-3H3,(H,21,24)/t13-,14-/m1/s1.
What are the key properties of (2R)-N-(2-methylphenyl)-2-[4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]propanamide?
(2R)-N-(2-methylphenyl)-2-[4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]propanamide has a molecular weight of 343.39 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methylphenyl)-2-[4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]propanamide is sourced from PubChem (CID 129397528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).