N-[4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]phenyl]acetamide

C19H25N5O2 — CID 91937745

IUPACN-[4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCCCN2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C19H25N5O2/c1-16(25)22-17-4-6-18(7-5-17)26-15-3-10-23-11-13-24(14-12-23)19-20-8-2-9-21-19/h2,4-9H,3,10-15H2,1H3,(H,22,25)
InChIKeyTZKOWTJXSWSPFS-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.03
Rot. Bonds7

About N-[4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]phenyl]acetamide

N-[4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]phenyl]acetamide (PubChem CID 91937745) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]phenyl]acetamide
PubChem CID91937745
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC NameN-[4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCCCN2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C19H25N5O2/c1-16(25)22-17-4-6-18(7-5-17)26-15-3-10-23-11-13-24(14-12-23)19-20-8-2-9-21-19/h2,4-9H,3,10-15H2,1H3,(H,22,25)
InChIKeyTZKOWTJXSWSPFS-UHFFFAOYSA-N
XLogP2.03
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]phenyl]acetamide?
The IUPAC name of N-[4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]phenyl]acetamide (CID 91937745) is N-[4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]phenyl]acetamide is CC(=O)Nc1ccc(OCCCN2CCN(c3ncccn3)CC2)cc1.
What is the InChIKey of N-[4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]phenyl]acetamide?
The InChIKey is TZKOWTJXSWSPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-16(25)22-17-4-6-18(7-5-17)26-15-3-10-23-11-13-24(14-12-23)19-20-8-2-9-21-19/h2,4-9H,3,10-15H2,1H3,(H,22,25).
What are the key properties of N-[4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]phenyl]acetamide?
N-[4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]phenyl]acetamide has a molecular weight of 355.44 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]phenyl]acetamide is sourced from PubChem (CID 91937745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).