3-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide

C19H25N5O2 — CID 31413337

IUPAC3-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
SMILESCOc1cccc(C(=O)NCCCN2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C19H25N5O2/c1-26-17-6-2-5-16(15-17)18(25)20-9-4-10-23-11-13-24(14-12-23)19-21-7-3-8-22-19/h2-3,5-8,15H,4,9-14H2,1H3,(H,20,25)
InChIKeyRIELPBNAKQYTMJ-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.43
Rot. Bonds7

About 3-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide

3-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide (PubChem CID 31413337) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
PubChem CID31413337
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name3-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
SMILESCOc1cccc(C(=O)NCCCN2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C19H25N5O2/c1-26-17-6-2-5-16(15-17)18(25)20-9-4-10-23-11-13-24(14-12-23)19-21-7-3-8-22-19/h2-3,5-8,15H,4,9-14H2,1H3,(H,20,25)
InChIKeyRIELPBNAKQYTMJ-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
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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Related Compounds

methyl 3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylcarbamoyl]benzoate
CID 55824435
3-(difluoromethoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 39539519
3-(methoxymethyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 39540479
3-amino-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 119901319
2-bromo-5-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 39539971
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]naphthalene-2-carboxamide
CID 31413320
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-3-methoxybenzamide
CID 10000302
3-methoxy-N-[5-(4-methylpiperazin-1-yl)pentyl]benzamide
CID 110441580
4-tert-butyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 39539439
2-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyridine-3-carboxamide
CID 39541853
3-methoxy-N-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethyl]benzamide;dihydrochloride
CID 71449110
N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-2,1,3-benzoxadiazole-5-carboxamide
CID 44589131

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide?
The IUPAC name of 3-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide (CID 31413337) is 3-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide?
The canonical SMILES for 3-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide is COc1cccc(C(=O)NCCCN2CCN(c3ncccn3)CC2)c1.
What is the InChIKey of 3-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide?
The InChIKey is RIELPBNAKQYTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-26-17-6-2-5-16(15-17)18(25)20-9-4-10-23-11-13-24(14-12-23)19-21-7-3-8-22-19/h2-3,5-8,15H,4,9-14H2,1H3,(H,20,25).
What are the key properties of 3-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide?
3-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide has a molecular weight of 355.44 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide is sourced from PubChem (CID 31413337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).