N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-(2-hydroxyphenyl)propanamide

C24H31N3O2 — CID 126509634

IUPACN-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-(2-hydroxyphenyl)propanamide
SMILESCCC(=O)N(CC1(N2CCN(Cc3ccccc3)CC2)CC1)c1ccccc1O
InChIInChI=1S/C24H31N3O2/c1-2-23(29)27(21-10-6-7-11-22(21)28)19-24(12-13-24)26-16-14-25(15-17-26)18-20-8-4-3-5-9-20/h3-11,28H,2,12-19H2,1H3
InChIKeyPWBFOZFQIQJACN-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.49
Rot. Bonds7

About N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-(2-hydroxyphenyl)propanamide

N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-(2-hydroxyphenyl)propanamide (PubChem CID 126509634) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-(2-hydroxyphenyl)propanamide.

Molecular Properties

Compound NameN-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-(2-hydroxyphenyl)propanamide
PubChem CID126509634
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-(2-hydroxyphenyl)propanamide
SMILESCCC(=O)N(CC1(N2CCN(Cc3ccccc3)CC2)CC1)c1ccccc1O
InChIInChI=1S/C24H31N3O2/c1-2-23(29)27(21-10-6-7-11-22(21)28)19-24(12-13-24)26-16-14-25(15-17-26)18-20-8-4-3-5-9-20/h3-11,28H,2,12-19H2,1H3
InChIKeyPWBFOZFQIQJACN-UHFFFAOYSA-N
XLogP3.49
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.49
H-Bond Donors ≤ 51
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-(2-hydroxyphenyl)propanamide?
The IUPAC name of N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-(2-hydroxyphenyl)propanamide (CID 126509634) is N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-(2-hydroxyphenyl)propanamide.
What is the SMILES notation for N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-(2-hydroxyphenyl)propanamide?
The canonical SMILES for N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-(2-hydroxyphenyl)propanamide is CCC(=O)N(CC1(N2CCN(Cc3ccccc3)CC2)CC1)c1ccccc1O.
What is the InChIKey of N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-(2-hydroxyphenyl)propanamide?
The InChIKey is PWBFOZFQIQJACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-2-23(29)27(21-10-6-7-11-22(21)28)19-24(12-13-24)26-16-14-25(15-17-26)18-20-8-4-3-5-9-20/h3-11,28H,2,12-19H2,1H3.
What are the key properties of N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-(2-hydroxyphenyl)propanamide?
N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-(2-hydroxyphenyl)propanamide has a molecular weight of 393.53 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 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-(2-hydroxyphenyl)propanamide is sourced from PubChem (CID 126509634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).