N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-[3-(trifluoromethyl)-2-pyridinyl]propanamide

C24H29F3N4O — CID 126508904

IUPACN-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-[3-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCCC(=O)N(CC1(N2CCN(Cc3ccccc3)CC2)CC1)c1ncccc1C(F)(F)F
InChIInChI=1S/C24H29F3N4O/c1-2-21(32)31(22-20(24(25,26)27)9-6-12-28-22)18-23(10-11-23)30-15-13-29(14-16-30)17-19-7-4-3-5-8-19/h3-9,12H,2,10-11,13-18H2,1H3
InChIKeyNUYBPCYMEPUOQE-UHFFFAOYSA-N
MW446.52 g/mol
LogP4.19
Rot. Bonds7

About N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-[3-(trifluoromethyl)-2-pyridinyl]propanamide

N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-[3-(trifluoromethyl)-2-pyridinyl]propanamide (PubChem CID 126508904) has the molecular formula C24H29F3N4O and a molecular weight of 446.52 g/mol. Its IUPAC name is N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-[3-(trifluoromethyl)-2-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-[3-(trifluoromethyl)-2-pyridinyl]propanamide
PubChem CID126508904
Molecular FormulaC24H29F3N4O
Molecular Weight446.52 g/mol
Exact Mass446.23
IUPAC NameN-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-[3-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCCC(=O)N(CC1(N2CCN(Cc3ccccc3)CC2)CC1)c1ncccc1C(F)(F)F
InChIInChI=1S/C24H29F3N4O/c1-2-21(32)31(22-20(24(25,26)27)9-6-12-28-22)18-23(10-11-23)30-15-13-29(14-16-30)17-19-7-4-3-5-8-19/h3-9,12H,2,10-11,13-18H2,1H3
InChIKeyNUYBPCYMEPUOQE-UHFFFAOYSA-N
XLogP4.19
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.52
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-phenylpropanamide
CID 126539472
N-phenyl-N-[[1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]cyclopropyl]methyl]propanamide
CID 137371248
N-[[1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]cyclopropyl]methyl]-N-phenylpropanamide
CID 137371237
N-[[4-(4-benzylpiperazin-1-yl)-2,2-dimethyloxan-4-yl]methyl]-N-(3-cyano-2-pyridinyl)propanamide
CID 126538882
N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-(2-methoxyphenyl)propanamide
CID 126509200
N-[[4-(4-benzylpiperazin-1-yl)oxepan-4-yl]methyl]-N-pyridin-2-ylpropanamide
CID 139471542
N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-N-(5-fluoro-3-pyridinyl)propanamide
CID 126508959
1-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-3-ethyl-1-phenylurea
CID 126507084
N-[[4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]oxan-4-yl]methyl]-N-phenylpropanamide
CID 126539476
N-(3-cyano-2-pyridinyl)-N-[[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]methyl]propanamide
CID 126509162
N-phenyl-N-[[1-[4-(2-phenylethyl)piperazin-1-yl]cyclohexyl]methyl]propanamide
CID 126539534
N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-N-pyridin-2-ylthiophene-2-carboxamide
CID 139462043

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-[3-(trifluoromethyl)-2-pyridinyl]propanamide?
The IUPAC name of N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-[3-(trifluoromethyl)-2-pyridinyl]propanamide (CID 126508904) is N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-[3-(trifluoromethyl)-2-pyridinyl]propanamide.
What is the SMILES notation for N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-[3-(trifluoromethyl)-2-pyridinyl]propanamide?
The canonical SMILES for N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-[3-(trifluoromethyl)-2-pyridinyl]propanamide is CCC(=O)N(CC1(N2CCN(Cc3ccccc3)CC2)CC1)c1ncccc1C(F)(F)F.
What is the InChIKey of N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-[3-(trifluoromethyl)-2-pyridinyl]propanamide?
The InChIKey is NUYBPCYMEPUOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N4O/c1-2-21(32)31(22-20(24(25,26)27)9-6-12-28-22)18-23(10-11-23)30-15-13-29(14-16-30)17-19-7-4-3-5-8-19/h3-9,12H,2,10-11,13-18H2,1H3.
What are the key properties of N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-[3-(trifluoromethyl)-2-pyridinyl]propanamide?
N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-[3-(trifluoromethyl)-2-pyridinyl]propanamide has a molecular weight of 446.52 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-[3-(trifluoromethyl)-2-pyridinyl]propanamide is sourced from PubChem (CID 126508904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).