N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide

C24H29F3N4O — CID 126539477

IUPACN-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCCC(=O)N(CC1(N2CCN(Cc3ccccc3)CC2)CC1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C24H29F3N4O/c1-2-22(32)31(21-10-6-9-20(28-21)24(25,26)27)18-23(11-12-23)30-15-13-29(14-16-30)17-19-7-4-3-5-8-19/h3-10H,2,11-18H2,1H3
InChIKeyFVRXWWPAOBAXRM-UHFFFAOYSA-N
MW446.52 g/mol
LogP4.19
Rot. Bonds7

About N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide

N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide (PubChem CID 126539477) 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-[6-(trifluoromethyl)-2-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
PubChem CID126539477
Molecular FormulaC24H29F3N4O
Molecular Weight446.52 g/mol
Exact Mass446.23
IUPAC NameN-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCCC(=O)N(CC1(N2CCN(Cc3ccccc3)CC2)CC1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C24H29F3N4O/c1-2-22(32)31(21-10-6-9-20(28-21)24(25,26)27)18-23(11-12-23)30-15-13-29(14-16-30)17-19-7-4-3-5-8-19/h3-10H,2,11-18H2,1H3
InChIKeyFVRXWWPAOBAXRM-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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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
The IUPAC name of N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide (CID 126539477) is N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide.
What is the SMILES notation for N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
The canonical SMILES for N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide is CCC(=O)N(CC1(N2CCN(Cc3ccccc3)CC2)CC1)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
The InChIKey is FVRXWWPAOBAXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N4O/c1-2-22(32)31(21-10-6-9-20(28-21)24(25,26)27)18-23(11-12-23)30-15-13-29(14-16-30)17-19-7-4-3-5-8-19/h3-10H,2,11-18H2,1H3.
What are the key properties of N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-[6-(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-[6-(trifluoromethyl)-2-pyridinyl]propanamide is sourced from PubChem (CID 126539477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).