N-[3-propan-2-yloxy-4-(4-propylpiperazin-1-yl)phenyl]acetamide

C18H29N3O2 — CID 91564135

IUPACN-[3-propan-2-yloxy-4-(4-propylpiperazin-1-yl)phenyl]acetamide
SMILESCCCN1CCN(c2ccc(NC(C)=O)cc2OC(C)C)CC1
InChIInChI=1S/C18H29N3O2/c1-5-8-20-9-11-21(12-10-20)17-7-6-16(19-15(4)22)13-18(17)23-14(2)3/h6-7,13-14H,5,8-12H2,1-4H3,(H,19,22)
InChIKeyAFZKFQSRQZUEGT-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.96
Rot. Bonds6

About N-[3-propan-2-yloxy-4-(4-propylpiperazin-1-yl)phenyl]acetamide

N-[3-propan-2-yloxy-4-(4-propylpiperazin-1-yl)phenyl]acetamide (PubChem CID 91564135) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[3-propan-2-yloxy-4-(4-propylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-propan-2-yloxy-4-(4-propylpiperazin-1-yl)phenyl]acetamide
PubChem CID91564135
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN-[3-propan-2-yloxy-4-(4-propylpiperazin-1-yl)phenyl]acetamide
SMILESCCCN1CCN(c2ccc(NC(C)=O)cc2OC(C)C)CC1
InChIInChI=1S/C18H29N3O2/c1-5-8-20-9-11-21(12-10-20)17-7-6-16(19-15(4)22)13-18(17)23-14(2)3/h6-7,13-14H,5,8-12H2,1-4H3,(H,19,22)
InChIKeyAFZKFQSRQZUEGT-UHFFFAOYSA-N
XLogP2.96
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.96
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-(5-fluoro-2-propan-2-yloxyphenyl)-4-propylpiperazine
CID 91805028
N-(3-ethyl-4-propan-2-yloxyphenyl)acetamide
CID 66916731
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-propan-2-yloxyphenyl)propanamide
CID 109029549
5-[(4-propan-2-ylphenyl)sulfonylamino]-2-(4-propylpiperazin-1-yl)benzoic acid
CID 50766170
N'-(3-acetamidophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268937
N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]acetamide
CID 2995453
5-[(3-methylbenzoyl)amino]-2-(4-propylpiperazin-1-yl)benzoic acid;2,2,2-trifluoroacetic acid
CID 146060722
1-[2-fluoro-3-(4-propylpiperazin-1-yl)phenyl]ethanone
CID 67532992
4-(2-propan-2-yloxyphenyl)-N-propylpiperazine-1-carboxamide
CID 113103270
3-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 109017718
N-[3-(butan-2-ylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]-2,6-dimethoxybenzamide
CID 5134441
1-(2-propan-2-yloxyphenyl)-3-[3-(1-propylpiperidin-4-yl)-2H-indazol-5-yl]urea
CID 23288221

Frequently Asked Questions

What is the IUPAC name of N-[3-propan-2-yloxy-4-(4-propylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of N-[3-propan-2-yloxy-4-(4-propylpiperazin-1-yl)phenyl]acetamide (CID 91564135) is N-[3-propan-2-yloxy-4-(4-propylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[3-propan-2-yloxy-4-(4-propylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for N-[3-propan-2-yloxy-4-(4-propylpiperazin-1-yl)phenyl]acetamide is CCCN1CCN(c2ccc(NC(C)=O)cc2OC(C)C)CC1.
What is the InChIKey of N-[3-propan-2-yloxy-4-(4-propylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is AFZKFQSRQZUEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-5-8-20-9-11-21(12-10-20)17-7-6-16(19-15(4)22)13-18(17)23-14(2)3/h6-7,13-14H,5,8-12H2,1-4H3,(H,19,22).
What are the key properties of N-[3-propan-2-yloxy-4-(4-propylpiperazin-1-yl)phenyl]acetamide?
N-[3-propan-2-yloxy-4-(4-propylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 319.45 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-propan-2-yloxy-4-(4-propylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 91564135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).