N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-3-methyl-N-propylbutanamide

C24H33N3O2 — CID 70972073

IUPACN-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-3-methyl-N-propylbutanamide
SMILESCCCN(C(=O)CC(C)C)c1ccc(N2CCN(c3ccc(O)cc3)CC2)cc1
InChIInChI=1S/C24H33N3O2/c1-4-13-27(24(29)18-19(2)3)22-7-5-20(6-8-22)25-14-16-26(17-15-25)21-9-11-23(28)12-10-21/h5-12,19,28H,4,13-18H2,1-3H3
InChIKeyCYHHNTXGSOOMBG-UHFFFAOYSA-N
MW395.55 g/mol
LogP4.51
Rot. Bonds7

About N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-3-methyl-N-propylbutanamide

N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-3-methyl-N-propylbutanamide (PubChem CID 70972073) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-3-methyl-N-propylbutanamide.

Molecular Properties

Compound NameN-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-3-methyl-N-propylbutanamide
PubChem CID70972073
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC NameN-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-3-methyl-N-propylbutanamide
SMILESCCCN(C(=O)CC(C)C)c1ccc(N2CCN(c3ccc(O)cc3)CC2)cc1
InChIInChI=1S/C24H33N3O2/c1-4-13-27(24(29)18-19(2)3)22-7-5-20(6-8-22)25-14-16-26(17-15-25)21-9-11-23(28)12-10-21/h5-12,19,28H,4,13-18H2,1-3H3
InChIKeyCYHHNTXGSOOMBG-UHFFFAOYSA-N
XLogP4.51
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]-3-methylbutan-1-one
CID 113078712
ethyl 3-[N-butyl-4-[4-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]piperidin-1-yl]anilino]-3-oxopropanoate
CID 11489121
1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-methylpentan-1-one
CID 112763089
4-(4-butan-2-ylpiperazin-1-yl)phenol;dihydrobromide
CID 20519340
N-ethyl-N-(3-hydroxyphenyl)-3-methylbutanamide
CID 107736260
N-(4-aminophenyl)-3,4,4-trimethyl-N-propylpentanamide
CID 63832151
4-[4-[4-[bis(phosphanyl)amino]phenyl]piperazin-1-yl]phenol
CID 18738299
2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 54868636
(2S)-2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-methylpentan-1-one
CID 61173212
propyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate
CID 69479549
2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[(2S)-pentan-2-yl]acetamide
CID 8691263
(2R)-2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119826928

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-3-methyl-N-propylbutanamide?
The IUPAC name of N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-3-methyl-N-propylbutanamide (CID 70972073) is N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-3-methyl-N-propylbutanamide.
What is the SMILES notation for N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-3-methyl-N-propylbutanamide?
The canonical SMILES for N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-3-methyl-N-propylbutanamide is CCCN(C(=O)CC(C)C)c1ccc(N2CCN(c3ccc(O)cc3)CC2)cc1.
What is the InChIKey of N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-3-methyl-N-propylbutanamide?
The InChIKey is CYHHNTXGSOOMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-4-13-27(24(29)18-19(2)3)22-7-5-20(6-8-22)25-14-16-26(17-15-25)21-9-11-23(28)12-10-21/h5-12,19,28H,4,13-18H2,1-3H3.
What are the key properties of N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-3-methyl-N-propylbutanamide?
N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-3-methyl-N-propylbutanamide has a molecular weight of 395.55 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-3-methyl-N-propylbutanamide is sourced from PubChem (CID 70972073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).