(2S)-2-(4-benzylpiperazin-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide

C25H31F3N4O2 — CID 30729136

IUPAC(2S)-2-(4-benzylpiperazin-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
SMILESC[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H31F3N4O2/c1-19(31-11-9-30(10-12-31)18-20-5-3-2-4-6-20)24(33)29-22-17-21(25(26,27)28)7-8-23(22)32-13-15-34-16-14-32/h2-8,17,19H,9-16,18H2,1H3,(H,29,33)/t19-/m0/s1
InChIKeyLZRYDNGTJRIJTK-IBGZPJMESA-N
MW476.54 g/mol
LogP3.69
Rot. Bonds6

About (2S)-2-(4-benzylpiperazin-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide

(2S)-2-(4-benzylpiperazin-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide (PubChem CID 30729136) has the molecular formula C25H31F3N4O2 and a molecular weight of 476.54 g/mol. Its IUPAC name is (2S)-2-(4-benzylpiperazin-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-benzylpiperazin-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
PubChem CID30729136
Molecular FormulaC25H31F3N4O2
Molecular Weight476.54 g/mol
Exact Mass476.24
IUPAC Name(2S)-2-(4-benzylpiperazin-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
SMILESC[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H31F3N4O2/c1-19(31-11-9-30(10-12-31)18-20-5-3-2-4-6-20)24(33)29-22-17-21(25(26,27)28)7-8-23(22)32-13-15-34-16-14-32/h2-8,17,19H,9-16,18H2,1H3,(H,29,33)/t19-/m0/s1
InChIKeyLZRYDNGTJRIJTK-IBGZPJMESA-N
XLogP3.69
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.54
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide
CID 51331092
1-tert-butyl-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea
CID 78786583
(2S)-2-(2-methoxyanilino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 40973577
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 4676497
(2R)-2-(2,4-dimethylimidazol-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 92808243
2-[methyl-[(2-methylphenyl)methyl]amino]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 42912252
2-(2-ethoxyanilino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 4880385
2-butylsulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 112781252
2-(3-methylanilino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 42911850
2-[methyl-[(4-methylphenyl)methyl]amino]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 42912272
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-4-oxo-4-phenylbutanamide
CID 108807350
(2S)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
CID 41093685

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-benzylpiperazin-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of (2S)-2-(4-benzylpiperazin-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide (CID 30729136) is (2S)-2-(4-benzylpiperazin-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-(4-benzylpiperazin-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for (2S)-2-(4-benzylpiperazin-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide is C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (2S)-2-(4-benzylpiperazin-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide?
The InChIKey is LZRYDNGTJRIJTK-IBGZPJMESA-N. The full InChI is InChI=1S/C25H31F3N4O2/c1-19(31-11-9-30(10-12-31)18-20-5-3-2-4-6-20)24(33)29-22-17-21(25(26,27)28)7-8-23(22)32-13-15-34-16-14-32/h2-8,17,19H,9-16,18H2,1H3,(H,29,33)/t19-/m0/s1.
What are the key properties of (2S)-2-(4-benzylpiperazin-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide?
(2S)-2-(4-benzylpiperazin-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide has a molecular weight of 476.54 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-benzylpiperazin-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 30729136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).